3D Mol Similar

Sodium 2-propylpentanoate

: Iupac Name：sodium;2-propylpentanoate; CAS No.: 1069-66-5; Molecular Weight：166.196; Modify Date.: 2022-11-06 06:15; Introduction:
Sodium 2-propylpentanoate, with the chemical formula C9H17NaO2 and CAS registry number 1069-66-5, is a compound known for its applications in various industries. This white crystalline solid, also referred to as sodium valproate, is commonly used as an anticonvulsant medication for the treatment of epilepsy and bipolar disorder. It works by increasing the levels of a neurotransmitter called gamma-aminobutyric acid (GABA) in the brain, which helps to calm and stabilize electrical activity. Sodium 2-propylpentanoate is also used as a food additive, flavoring agent, and in the production of polymers. It is important to note that this compound should be handled with care, as it may cause skin and eye irritation. Overall, Sodium 2-propylpentanoate is a versatile compound with diverse applications in the medical and food industries.
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1. Names and Identifiers

: 1.1 Name; Sodium 2-propylpentanoate; 1.2 Synonyms; 2-Propylpentanoic acid 2-PROPYLPENTANOIC ACID NA 2-Propylpentanoic acid sodium 2-PROPYLPENTANOIC ACID SODIUM SALT 2-Propylpentanoic acid,sodium salt 2-propyl-pentanoicacisodiumsalt 2-Propylvaleric acid sodium salt DEPACON Depakene Depakin Depakine EINECS 213-961-8 Epilim Ergenyl MFCD00078604 Pentanoic acid, 2-propyl-, sodium salt (1:1) Sodium 2-propylvalerate SODIUM DIPROPYLACETATE Sodium Valproate sodium,2-propylpentanoate sodiumalpha,alpha-dipropylacetate sodiumbispropylacetate sodiumn-dipropylacetate UNII:5VOM6GYJ0D valerin Valproate Sodium Valproic acid (sodium salt) Valproic acid sodium salt Valproic acid, sodium salt; View all

1.3 CAS No.: 1069-66-5

1.4 CID: 16760703

1.5 EINECS(EC#): 213-961-8

1.6 Molecular Formula: C8H15NaO2 (isomer)

1.7 Inchi: InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1

1.8 InChIkey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

1.9 Canonical Smiles: CCCC(CCC)C(=O)[O-].[Na+]

1.10 Isomers Smiles: CCCC(CCC)C(=O)[O-].[Na+]

2. Properties

2.1 Density: 1.0803 g/cm3

2.1 Melting point: 300℃

2.1 Boiling point: 220°C at 760 mmHg

2.1 Flash Point: STABILITY

2.1 Precise Quality: 166.09700

2.1 PSA: 40.13000

2.1 logP: 0.95270

2.1 Solubility: H2O: 50?mg/mL

2.2 AnalyticLaboratory Methods: Analyte: valproic acid;; matrix: chemical identification; procedure: infrared absorption spectrophotometry with comparison to standards

2.3 Appearance: white powder

2.4 Chemical Properties: White Solid

2.5 Color/Form: Colorless liquid

2.6 Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.

2.7 Odor: Characteristic odor

2.8 PH: 6.0～9.0 (50g/l, 25℃)

2.9 pKa: 4.8(at 25℃)

2.10 Water Solubility: soluble

2.11 Stability: Stable under normal temperatures and pressures.

2.12 StorageTemp: 2-8°C

2.13 Toxicity Summary: IDENTIFICATION AND USE: Valproic acid; is a colorless to pale yellow viscous liquid. Valproic acid; is an antiepileptic drug and is used solely or in combination with other anticonvulsants in the treatment of simple (petit mal) and complex absence seizures. Valproic acid; may be effective against myoclonic and atonic seizures in young children. HUMAN EXPOSURE AND TOXICITY: After oral administration, the drug is rapidly absorbed from the gastrointestinal tract and metabolized in the liver. Fatal hepatic failure has been reported in patients on valproic acid; therapy, especially those on chronic use. Pancreatitis has also been reported in patients receiving normal therapeutic dosage. Reports showed that acute toxicity is rare, and usually follows a benign course. The most commonly reported adverse effects are anorexia, nausea and vomiting. Central nervous system effects include drowsiness, possibly apathy and withdrawal, confusion, restlessness, hyperactivity. Less frequently, seizures and coma may occur. Sedative effects are more pronounced when drug is used together with other anti-epileptic agents. Hematopoietic system effects include thrombocytopenia, abnormal bleeding time and partial thromboplastin time with decreased fibrinogen levels and prolonged prothrombin time leading to bruising, petechiae, hematoma, and epistaxis. The drug can induce pruritic macular rashes and transient alopecia. Altered thyroid functions was described. Death is rare but if it occurs it results from cardiopulmonary arrest secondary to hepatic failure. Safe use of valproic acid; during pregnancy has not been established. Although several reports suggest an association between the use of valproic acid; in pregnant epileptic women and an increased incidence of birth defects (particularly neural tube defects) in children born to these women, a causal relationship remains to be established. The drug crosses the placental barrier and has been found in breast milk. The mechanism of action of valproic acid; is unknown. Effects of the drug may be related, at least in part, to increased brain concentrations of the inhibitory neurotransmitter GABA;. ANIMAL STUDIES: Animal studies have shown that valproic acid; inhibits GABA; transferase and succinic aldehyde; dehydrogenase, enzymes which are important for GABA; catabolism. Results of one study indicate the drug inhibits neuronal activity by increasing potassium; conductance. In animals, valproic acid; protects against seizure induced by electrical stimulation, as well as those induced by pentylenetetrazol;. In 2 year rat and chronic mouse studies, an increased incidence of subcutaneous fibrosarcoma occurred in male rats at the higher dosage level and a dose related trend for an increased incidence of benign pulmonary adenomas was observed in male mice. The importance of these findings to humans is not known. Adverse fetal effects have been observed in reproduction studies in rats and mice. Studies have not shown any evidence of mutagenic potential for the drug.; View all

3. Use and Manufacturing

3.1 Definition: ChEBI: The sodium salt of valproic acid.

3.2 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 70 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (61.43%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (55.71%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (54.29%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H360 (65.71%): May damage fertility or the unborn child [Danger Reproductive toxicity]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501; View all

3.3 Methods of Manufacturing: Valproic acid; may be synthesized from 4-heptanol; by successive conversions to 4-bromoheptane; with HBr, to 4-cyanoheptane with HCN and to 2-propyl pentanoic (valproic) acid by alkaline hydrolysis of the 4-cyanoheptane.

3.4 Usage: Antiepileptic; increases levels of GABA in the brain

4. Safety and Handling

4.1 Symbol: GHS07

4.1 Hazard Codes: T

4.1 Signal Word: Warning

4.1 Risk Statements: R22;R36/38;R61

4.1 Safety Statements: S26;S37/39;S45;S53

4.1 Packing Group: III

4.1 Hazard Class: 6.1(b)

4.1 Hazard Declaration: H302

4.1 RIDADR: REM

4.1 Caution Statement: P301 + P312 + P330

4.1 WGK Germany: 3

4.1 RTECS: YV7876000

4.1 Specification

The IUPAC name of Sodium valproate is sodium 2-propylpentanoate. With the CAS registry number 1069-66-5, it is also named as 2-Propylpentanoic acid sodium salt. The product's categories are Valproic acid Series; Intermediates & Fine Chemicals; Pharmaceuticals; GABA/Glycine Receptor. Besides, it is white solid, which should be stored in sealed container in cool and dry place. In addition, its molecular formula is?C₈H₁₅NaO₂ and molecular weight is 166.19.

The other characteristics of Sodium valproate can be summarized as: (1)EINECS: 213-961-8; (2)ACD/LogP: 2.72; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.95; (5)ACD/LogD (pH 7.4): 0.16; (6)ACD/BCF (pH 5.5): 11.78; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 123.33; (9)ACD/KOC (pH 7.4): 2; (10)H bond acceptors: 2; (11)H bond donors: 1; (12)Freely Rotating Bonds: 5; (13)Polar Surface Area: 37.3??²; (14)Density: g/cm3; (15)Flash Point: 116.6 °C; (16)Melting point: 300 °C; (17)Solubility: H₂O: 50 mg/mL; (18)Enthalpy of Vaporization: 50.29 kJ/mol; (19)Boiling Point: 220 °C at 760 mmHg; (20)Vapour Pressure: 0.0435 mmHg at 25 °C.

Preparation and Uses of Sodium valproate: it can be produced by Diethyl malonate. Furthermore, this chemical is an anticonvulsant which can be used in the treatment of epilepsy and bipolar disorder.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed.?And it is also irritating to eyes, respiratory system and skin.?You should wear suitable protective clothing, gloves and eye / face protection.?Moreover, this product may cause harm to the unborn child. Please avoid exposure - obtain special instructions before use.?And in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.?Additionally, in case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)?

People can use the following data to convert to the molecule structure.
(1)SMILES:[Na+].[O-]C(=O)C(CCC)CCC
(2)InChI:InChI=1/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
(3)InChIKey:AEQFSUDEHCCHBT-REWHXWOFAT
(4)Std. InChI:InChI=1S/C8H16O2.Na/c1-3-5-7(6-4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
(5)Std. InChIKey:AEQFSUDEHCCHBT-UHFFFAOYSA-M

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	intraperitoneal	565mg/kg (565mg/kg)	?	Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 13, Pg. 81, 1977.
child	LDLo	oral	750mg/kg (750mg/kg)	BEHAVIORAL: COMA CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Lancet. Vol. 1, Pg. 221, 1984.
child	TDLo	oral	1820mg/kg/12W (1820mg/kg)	BEHAVIORAL: SLEEP GASTROINTESTINAL: NAUSEA OR VOMITING	Lancet. Vol. 2, Pg. 1110, 1980.
dog	LD50	intraperitoneal	700mg/kg (700mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: TREMOR	Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979.
dog	LD50	oral	1420mg/kg (1420mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING	Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979.
guinea pig	LD50	oral	824mg/kg (824mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA	Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979.
hamster	LD50	oral	1740mg/kg (1740mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA	Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979.
infant	LDLo	oral	250mg/kg/10D- (250mg/kg)	GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF ENDOCRINE PANCREAS BLOOD: HEMORRHAGE	Archives of Disease in Childhood. Vol. 58, Pg. 543, 1983.
man	TDLo	oral	17mg/kg (17mg/kg)	BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES LIVER: LIVER FUNCTION TESTS IMPAIRED BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Journal of Toxicology, Clinical Toxicology. Vol. 30, Pg. 209, 1992.
man	TDLo	oral	214mg/kg/30D- (214mg/kg)	SKIN AND APPENDAGES (SKIN): "DERMATITIS, ALLERGIC: AFTER SYSTEMIC EXPOSURE"	Israel Journal of Medical Sciences. Vol. 30, Pg. 283, 1994.
mouse	LD50	intramuscular	832mg/kg (832mg/kg)	?	Biochemical Pharmacology. Vol. 22, Pg. 1701, 1973.
mouse	LD50	intraperitoneal	470mg/kg (470mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA	Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979.
mouse	LD50	intravenous	750mg/kg (750mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA	Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 299, 1976.
mouse	LD50	oral	977mg/kg (977mg/kg)	?	European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 71, 1990.
mouse	LD50	subcutaneous	860mg/kg (860mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: TREMOR	Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979.
mouse	LD50	unreported	1700mg/kg (1700mg/kg)	?	United States Patent Document. Vol. #3301754,
rabbit	LD50	intraperitoneal	1200mg/kg (1200mg/kg)	?	Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. Vol. 13, Pg. 81, 1977.
rabbit	LD50	oral	1468mg/kg (1468mg/kg)	?	Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 41, 1971.
rat	LD50	intraperitoneal	970mg/kg (970mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Pharmacological and Biochemical Properties of Drug Substances. Vol. 2, Pg. 58, 1979.
rat	LD50	intravenous	509mg/kg (509mg/kg)	?	Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 1155, 1983.
rat	LD50	oral	670mg/kg (670mg/kg)	?	British Journal of Pharmacology. Vol. 74, Pg. 957P, 1981.
rat	LD50	subcutaneous	1029mg/kg (1029mg/kg)	?	Kiso to Rinsho. Clinical Report. Vol. 5, Pg. 41, 1971.
women	TDLo	oral	500mg/kg (500mg/kg)	BEHAVIORAL: SLEEP BEHAVIORAL: MUSCLE WEAKNESS	Postgraduate Medical Journal. Vol. 62, Pg. 409, 1986.
women	TDLo	oral	1040mg/kg (1040mg/kg)	BRAIN AND COVERINGS: CHANGES IN SURFACE EEG BEHAVIORAL: COMA BLOOD: THROMBOCYTOPENIA	Journal of Toxicology, Clinical Toxicology. Vol. 33, Pg. 279, 1995.

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4.2 Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV7876000

CHEMICAL NAME :: Valeric acid, 2-propyl-, sodium salt

CAS REGISTRY NUMBER :: 1069-66-5

LAST UPDATED :: 199801

DATA ITEMS CITED :: 66

MOLECULAR FORMULA :: C8-H15-O2.Na

MOLECULAR WEIGHT :: 166.22

WISWESSER LINE NOTATION :: OVY3&Y1&1 &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 214 mg/kg/30D-I

TOXIC EFFECTS :: Skin and Appendages - dermatitis, allergic (after systemic exposure)

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - infant

DOSE/DURATION :: 250 mg/kg/10D-I

TOXIC EFFECTS :: Gastrointestinal - changes in structure or function of endocrine pancreas Blood - hemorrhage

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - child

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Behavioral - coma Cardiac - other changes Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Behavioral - sleep Behavioral - muscle weakness

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - child

DOSE/DURATION :: 1820 mg/kg/12W-I

TOXIC EFFECTS :: Behavioral - sleep Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - dehydration

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 17 mg/kg

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Behavioral - muscle contraction or spasticity Liver - liver function tests impaired

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 670 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 970 mg/kg

TOXIC EFFECTS :: Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1029 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 509 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 977 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 470 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 860 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 832 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 1420 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - ataxia Gastrointestinal - nausea or vomiting

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 700 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 565 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1468 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 824 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - hamster

DOSE/DURATION :: 1740 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - ataxia

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 72800 mg/kg/1Y-I

TOXIC EFFECTS :: Brain and Coverings - other degenerative changes Vascular - structural changes in vessels

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 109 gm/kg/13W-C

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in other cell count (unspecified) Related to Chronic Data - changes in testicular weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 97200 mg/kg/26W-I

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 25280 mg/kg/21D-C

TOXIC EFFECTS :: Liver - other changes Kidney, Ureter, Bladder - other changes

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 9500 mg/kg/30D-I

TOXIC EFFECTS :: Behavioral - food intake (animal) Behavioral - muscle weakness Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 58500 mg/kg/90D-I

TOXIC EFFECTS :: Behavioral - food intake (animal) Behavioral - muscle weakness Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1620 mg/kg

SEX/DURATION :: female 1-39 week(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - hepatobiliary system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2700 mg/kg

SEX/DURATION :: female 1-39 week(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2700 mg/kg

SEX/DURATION :: female 1-39 week(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - hepatobiliary system Reproductive - Effects on Newborn - other neonatal measures or effects Reproductive - Effects on Newborn - biochemical and metabolic

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2800 mg/kg

SEX/DURATION :: female 7-13 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 3 gm/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1500 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 5904 mg/kg

SEX/DURATION :: female 7-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - other effects to embryo Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 5904 mg/kg

SEX/DURATION :: female 7-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - Central Nervous System

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 1950 mg/kg

SEX/DURATION :: female 7-9 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 900 mg/kg

SEX/DURATION :: female 9 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - Central Nervous System

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 900 mg/kg

SEX/DURATION :: female 9 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1350 mg/kg

SEX/DURATION :: female 7-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 750 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 3360 mg/kg

SEX/DURATION :: female 7-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 1400 mg/kg

SEX/DURATION :: female 7-13 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 201 mg/kg

SEX/DURATION :: female 8-10 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 600 mg/kg

SEX/DURATION :: female 7 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 464 mg/kg

SEX/DURATION :: female 9 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 340 mg/kg

SEX/DURATION :: female 8 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 400 mg/kg

SEX/DURATION :: female 9 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 90 mg/kg

SEX/DURATION :: female 3 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - other effects to embryo

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 3600 mg/kg

SEX/DURATION :: female 7-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 450 mg/kg

SEX/DURATION :: female 7-8 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 300 mg/kg

SEX/DURATION :: female 8 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - Central Nervous System

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 600 mg/kg

SEX/DURATION :: female 8 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material) Reproductive - Specific Developmental Abnormalities - Central Nervous System

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Implant

DOSE :: 490 mg/kg

SEX/DURATION :: female 7-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

DOSE :: 464 mg/kg

SEX/DURATION :: female 9 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 6 gm/kg

SEX/DURATION :: female 21-31 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 6 gm/kg

SEX/DURATION :: female 22-31 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 3 gm/kg

SEX/DURATION :: female 21-50 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 6 gm/kg

SEX/DURATION :: female 21-50 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2600 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 4095 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 5200 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 4550 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 5 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 243,63,1990 *** REVIEWS *** TOXICOLOGY REVIEW DRUGAY Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. (ADIS Press International Inc., Suite B-30, Oxford Ct. Business Center, 582 Middletown Blvd., Langhorne, PA 19047) V.1- 1971- Volume(issue)/page/year: 13,81,1977 TOXICOLOGY REVIEW PBPSDY Pharmacological and Biochemical Properties of Drug Substances. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.1- 1977- Volume(issue)/page/year: 2,58,1979

View all

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

Reproductive toxicity, Category 1A

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation H360 May damage fertility or the unborn child
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P308+P313 IF exposed or concerned: Get medical advice/ attention.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. Synthesis Route

1069-66-5Total: 1 Synthesis Route

99-66-1 205 Suppliers

1069-66-5 445 Suppliers

Literatures:
SCI PHARMTECH, INC. Patent: US2011/40122 A1, 2011 ; Location in patent: Page/Page column 2 ;
Yield: ~99%

7. Precursor and Product

precursor:

99-66-1

product :

99-66-1

8. Other Information

8.0 Merck: 14,9913

8.1 Chemical Properties: White Solid

8.2 Uses: Antiepileptic; increases levels of GABA in the brain

8.3 Uses: antibacterial

8.4 Uses: Anticonvulsant

8.5 Definition: ChEBI: The sodium salt of valproic acid.

8.6 Brand name: Depacon (Abbott).

8.7 Originator: Anticon,Generics-UK,UK

8.8 Manufacturing Process: (a) Di-n-propyl cyanacetic acid First of all, a sodium n-propylate solution was prepared from 7.42 g (0.322 mol) of sodium and 180 ml of anhydrous n-propanol, by heating with gentle reflux until complete dissolution of the sodium.
Into a 500 ml spherical flask, equipped with a dropping funnel, a mechanical stirrer, a thermometer and a condenser, above which was disposed a calcium chloride trap, were introduced 16.95 g (0.141 mol) of ethyl cyanacetate and 40.69 g (0.33 mol) of n-propyl bromide. This mixture was heated to 45°C and then there was added thereto, slowly and while stirring, the previously prepared solution of sodium n-propylate, keeping the temperature of the reaction medium at 50°-55°C by gentle external cooling.With the completion of the operation of introduction, the mixture was brought to reflux temperature in 30 minutes and kept at this temperature for 3 hours. The n-propanol was then distilled and the distillation stopped when the temperature of the residual mass had reached 115°C.
The crude ester obtained in this way was then treated with a solution of 7.5 g of flaked sodium hydroxide in 67.5 ml of water. The mixture was introduced into a 250 ml spherical flask, equipped with a condenser, and then the reaction medium was slowly brought to 60°-70°C. This temperature was maintained for 3 hours, whereafter the mixture was cooled to about 50°C and the ethanol which had formed and the residue of n-propanol were eliminated under a pressure of 70 mm Hg. The solution thus obtained was cooled to 20°C and acidified, while stirring, by addition of 26.25 g of 36% hydrochloric acid. During this operation, the temperature of the reaction medium was kept below 40°C by cooling. Stirring was continued for 30 minutes, whereafter the mixture was left standing for 30 minutes. The oily layer of di-n-propyl cyanacetic acid was decanted and the aqueous phase extracted with 35 ml of toluene. The extract in toluene was then added to the decanted di-n-propyl cyanacetic acid, whereafter the solution in toluene was washed, in a separation funnel, with a solution of 1.5 g of sodium chloride in 14 ml of water. The toluenic phase was decanted and the toluene distilled under atmospheric pressure.
Using this procedure, 25 g of crude di-n-propyl cyanacetic acid were obtained. (b) Di-n-propyl acetonitrile Into a 100 ml spherical flask fitted with a thermometer and a condenser were introduced 25 g of crude di-n-propyl cyanacetic acid obtained by the method previously described, and the mixture was heated on an oil bath. Decarboxylation commenced at a temperature in the region of 140°C. The mixture was refluxed at about 160°C and at 190°C for 2 hours. This temperature was maintained until the release of gas was completed, this taking 2 hours. The di-n-propyl acetonitrile thus formed was then slowly distilled and the fraction passing over between 165°C and 175°C was collected. A second distillation was then carried out. Using this procedure, 14.7 g of di-n-propyl acetonitrile were collected. Boiling point: 170°C. Yield: 83%, relatively to the ethyl cyanacetate used. Di-n-propyl acetonitrile may be saponifyed with equal molecular quantity of NaOH to give the desired valproic acid (valproate). After that it may be converted into the sodium salt with help of equivalent NaOH to give the valproate sodium.; View all

8.9 Therapeutic Function: Anticonvulsant, Antiepileptic

8.10 General Description: A cell-permeable, short-chained fatty acid that inhibits histone deacetylase activity (IC₅₀ = 400 μM for HDAC1). Induces differentiation and inhibits proliferation of cell lines derived from human malignant gliomas. At therapeutic levels (350 μM-1.04 mM), causes inositol depletion, inhibits both GSK-3α and -3β, activates the ERK pathway, and produces neurotropic effects. Has been used as an anti-epileptic agent. Also reported to stimulate peroxisome proliferator-activated receptor (PPAR) activity. Displays a potent teratogenic activity in humans and rodent models.

9. Computational chemical data

Molecular Weight: 166.196g/mol
Molecular Formula: C₈H₁₅NaO₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 166.09697400
Monoisotopic Mass: 166.09697400
Complexity: 98.3
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 40.1
Heavy Atom Count: 11
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADccBwMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQCAgAACCAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10. Question & Answer

What are the effects and benefits of Sodium 2-propylpentanoate? Jul 29 2023
Sodium 2-propylpentanoate is a valuable drug that has a wide range of applications in various fields such as medicine, food industry, cosmetics, and cleaning agents. It has many important effects and ..
What are the side effects and precautions of Sodium 2-propylpentanoate? Jul 18 2023
Sodium 2-propylpentanoate is a medication that effectively controls seizures, but it also has some adverse reactions and side effects. This article will provide a detailed overview of the side effects..
Can Sodium 2-propylpentanoate be used to treat epilepsy? Jun 10 2023
Epilepsy, also known as "goat wind" or "goat epilepsy", is a common neurological disorder. It has a high incidence rate and requires long-term medication to reduce seizures. Sodium 2-propylpentanoate ..
Is Sodium 2-propylpentanoate the Right Medication for You? Sep 27 2021
Sodium 2-propylpentanoate, also known as Debaquin, is a medication that contains Sodium 2-propylpentanoate and magnesium valproate. 1. Indications: It is a broad-spectrum antiepileptic drug. It is the..

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