Valsartan
- Iupac Name：(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
- CAS No.: 137862-53-4
- Molecular Weight：435.51876
- Modify Date.: 2023-02-13 23:03
- Introduction: A nonpeptide angiotensin II AT1-receptor antagonist. Antihypertensive.
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1. Names and Identifiers
- 1.1 Name
- Valsartan
- 1.2 Synonyms
(2S)-3-Methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid (S)-2-(N-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic aci (S)-N-(1-carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]amine 3-Methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-butanoic aci Ambroxol Hydrochloride Imp.D Cardopan CGP 48933 Dihydrotachystero Diovan Diovan (TN) L-Valine, N-(1-oxopentyl)-N-((2-(1H-tetrazol-5-yl)(1,1-biphenyl)-4-yl)methyl)- L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- L-Valine, N-(1-oxopentyl)-N-[[2′-(1H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]- L-Valine, N-(1-oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]- L-Valine,N-(1-oxopentyl)-N-[[2'-(1H-tetrazol- 5-yl)[1,1'-biphenyl]-4-yl]methyl]- L-Valsartan N-(1-n.Pentanoyl)-N-[[2'-(1H-tetrazol-5-yl)[1',1- biphenyl]-4-yl]methyl]-L-valine N-(1-OXOPENTYL)-N-[[2'-(1H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-L-VALINE N-(1-Oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-L-valine N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine Nisis N-Pentanoyl-N-{[2'-(5-tetrazolidinyl)-4-biphenylyl]methyl}valine Tareg Valine, N-(1-oxopentyl)-N-[[2'-(5-tetrazolidinyl)[1,1'-biphenyl]-4-yl]methyl]- Valsarect Valsartan USP30 Valsartan [USAN:INN] VALSARTAN IMP C Valsartanin Vazar
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- 1.3 CAS No.
- 137862-53-4
- 1.4 CID
- 60846
- 1.5 EINECS(EC#)
- 604-045-2
- 1.6 Molecular Formula
- C24H29N5O3 (isomer)
- 1.7 Inchi
- InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
- 1.8 InChIkey
- ACWBQPMHZXGDFX-QFIPXVFZSA-N
- 1.9 Canonical Smiles
- CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O
- 1.10 Isomers Smiles
- CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O
2. Properties
- 2.1 Density
- 1.212
- 2.1 Melting point
- 116-117 deg C
- 2.1 Boiling point
- 684.9 °C at 760 mmHg
- 2.1 Refractive index
- 1.586
- 2.1 Flash Point
- 368 °C
- 2.1 PSA
- 112.07000
- 2.1 logP
- 5.8
- 2.1 Solubility
- 84.99mg/L(25 ºC)
- 2.2 Appearance
- white to tan
- 2.3 Storage
- -20°C Freezer, Under inert atmosphere
- 2.4 Chemical Properties
- White Crystalline Powder
- 2.5 Color/Form
- White to practically white fine powder
Crystals from diisopropyl ether
- 2.6 Decomposition
- Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx).
- 2.7 pKa
- 3.56±0.10(Predicted)
- 2.8 Water Solubility
- DMSO: ≥20mg/mL
- 2.9 Stability
- Hygroscopic
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity.
- 3.2 General Description
- Valsartan, N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine (Diovan), likelosartan, possesses the acidic tetrazole system, which mostlikely plays a role, similar to that of the acidic groups of angiotensinII, in binding to the angiotensin II receptor. In addition,the biphenyl system that serves to separate the tetrazolefrom the aliphatic nitrogen is still present. In addition, there isa carboxylic acid side chain in the valine moiety that alsoserves to bind to the angiotensin II receptor. Valsartan Preparation Products And Raw materials Raw materials
- 3.3 Usage
- A nonpeptide angiotensin II AT1-receptor antagonist. Antihypertensive.
4. Safety and Handling
- 4.1 Hazard Codes
- Xi
- 4.1 Risk Statements
- 36/37/38
- 4.1 Safety Statements
- 26-37/39
- 4.1 Exposure Standards and Regulations
- The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl valsartan, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
- 4.2 Octanol/Water Partition Coefficient
- log Kow = 3.65 (est)
- 4.3 Hazard Declaration
- H413
- 4.3 DisposalMethods
- SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
- 4.4 RIDADR
- NONH for all modes of transport
- 4.4 Caution Statement
- P201, P202, P273, P281, P308+P313, P405, P501
- 4.4 Formulations/Preparations
- Oral: Tablets: 40 mg Diovan, (Novartis), 80 mg Diovan, (Novartis), 160 mg Diovan, (Novartis), 320 mg Diovan, (Novartis).
- 4.5 WGK Germany
- 3
- 4.5 RTECS
- YV9455000
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Reproductive toxicity, Category 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H361 Suspected of damaging fertility or the unborn child |
| Precautionary statement(s) | |
| Prevention | P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P308+P313 IF exposed or concerned: Get medical advice/ attention. |
| Storage | P405 Store locked up. |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
137862-53-4Total: 55 Synthesis Route
8. Other Information
- 8.0 Merck
- 14,9916
- 8.1 Pharmacokinetics
- For most patients, a single oral dose will have antihypertensive effects that occur within 2 hours, peak at 4-6 hours, and continue for over 24 hours. 2-4 weeks of treatment will result in maximum hypertensive curative effects, which will last throughout long-term treatment. It can be used with thiazide diuretics to further strengthen antihypertensive effects.
- 8.2 Chemical Properties
- White Crystalline Powder
- 8.3 Uses
- A nonpeptide angiotensin II AT1-receptor antagonist. Antihypertensive.
- 8.4 Uses
- Angiotensin II inhibitor, antihypertensive
- 8.5 Uses
- May be used as a first line agent to treat uncomplicated hypertension, isolated systolic hypertension and left ventricular hypertrophy. May be used as a first line agent to delay progression of diabetic nephropathy. Losartan may be also used as a second l
- 8.6 Definition
- ChEBI: A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity.
- 8.7 Brand name
- Diovan (Novartis).
9. Computational chemical data
- Molecular Weight: 435.51876g/mol
- Molecular Formula: C24H29N5O3
- Compound Is Canonicalized: True
- XLogP3-AA: 4.4
- Exact Mass: 435.22703980
- Monoisotopic Mass: 435.22703980
- Complexity: 608
- Rotatable Bond Count: 10
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 112
- Heavy Atom Count: 32
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAYCAAADSjBmwQzGIcCAgCqAiPyOACCAAIgAAAcqCGoBJgKILKAkTGEYAhkhgCYiAcYgMAOwAAAAAAQAACAAAAAACAAAAAAAAAAAA==
10. Question & Answer
-
Sacubitril Valsartan is an angiotensin receptor neprilysin inhibitor (ARNI), the first single crystal of a dual-acting substance in the cardiovascular field, composed of Sacubitril and Valsartan in a ..
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Uses of Valsartan Known as an angiotensin receptor blocker (ARB), Valsartan widens blood vessels to lower blood pressure, aiding the heart in pumping blood efficiently. It is commonly prescribed for h..
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Valsartan is an antihypertensive drug used for various degrees of mild to moderate hypertension, especially suitable for patients intolerant to ACE inhibitors. A non-imidazole AⅡ receptor blocker, i..
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Common side effects of Valsartan include shortness of breath, cough, dizziness, light-headedness upon waking, nausea, fatigue, diarrhea, skin irritation, postural hypotension, hyperkalemia, and renal ..
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