Simvastatin Hydroxy Acid Methyl Ester

CAS: 145576-26-7

Ref. TR-S485015

Product Information

• Name: Simvastatin Hydroxy Acid Methyl Ester
• Synonyms: 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-, methyl ester, (βR,δR,1S,2S,6R,8S,8aR)-, 1-Naphthaleneheptanoic acid, 8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-, methyl ester, [1S-[1α(βS*,δS*),2α,6β,8β,8aα]]-, Methyl (βR,δR,1S,2S,6R,8S,8aR)-8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoate
• Brand: TRC
• Description: Applications An impurity in Simvastatin (S485000) tablets.References Endo, A., et al.: J. Antibiot., 29, 1346 (1976), Hoffman, W., et al.: J. Med. Chem., 29, 849 (1986), Jemal, M., et al.: J. Pharm. Biomed. Anal., 23, 323 (2000),

Chemical properties

• Molecular weight: 450.61
• Formula: C₂₆H₄₂O₆
• Color/Form: Neat
• InChI: InChI=1S/C26H42O6/c1-7-26(4,5)25(30)32-22-13-16(2)12-18-9-8-17(3)21(24(18)22)11-10-19(27)14-20(28)15-23(29)31-6/h8-9,12,16-17,19-22,24,27-28H,7,10-11,13-15H2,1-6H3/t16-,17-,19+,20+,21-,22-,24-/m0/s1
• InChI key: InChIKey=ANVXHKJGHXLLPK-RVTXAWHXSA-N
• SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)OC)[C@H]21