DES (2-METHYLBUTYRATE) LOVASTATIN HYDROXY ACID SODIUM SALT

: Iupac Name：sodium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate; CAS No.: 132294-94-1; Molecular Weight：360.426; Modify Date.: 2022-11-24 11:44; Introduction: An impurity of Simvastatin and Lovastatin DES (2-METHYLBUTYRATE) LOVASTATIN HYDROXY ACID SODIUM SALTSupplier View more+

1. Names and Identifiers

: 1.1 Name; DES (2-METHYLBUTYRATE) LOVASTATIN HYDROXY ACID SODIUM SALT; 1.2 Synonyms; (3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-Dimethyl-8-hydroxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid sodium salt [1S-[1a(S*,dS*),2,6,8,8aa]]-1,2,6,7,8,8a-hexahydro-,d,8-trihydroxy-2,6-dimethyl-1-naphthaleneheptanoic Acid Monosodium Salt Des(2-Methylbutyryl) Lovastatin Hydroxy Acid SodiuM Salt Lovastatin Acid Triol SodiuM Salt sodium,(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate; View all

1.6 Inchi: InChI=1S/C19H30O5.Na/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24;/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24);/q;+1/p-1/t11-,12-,14+,15+,16-,17-,19-;/m0./s1

1.9 Isomers Smiles: C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)O.[Na+]

2. Properties

3. Use and Manufacturing

3.1 Usage: An impurity of Simvastatin and Lovastatin DES (2-METHYLBUTYRATE) LOVASTATIN HYDROXY ACID SODIUM SALTSupplier

4. MSDS

no data available

no data available

5. Other Information

6. Computational chemical data

Molecular Weight: 360.426g/mol
Molecular Formula: C₁₉H₂₉NaO₅
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 360.19126830
Monoisotopic Mass: 360.19126830
Complexity: 504
Rotatable Bond Count: 7
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 5
Topological Polar Surface Area: 101
Heavy Atom Count: 25
Defined Atom Stereocenter Count: 7
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: AAADceB4OCAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAACAAAAAGgAACAAADRSggAICCAAAAgCIAiDSCAAAAAAgAAAICAEAAAgIEBYAAQAAQAAF4AAIgAOI7PTOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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