2-Methyl Simvastatin (Mixture Of Diasteroisomers)

CAS: 774611-54-0

Ref. TR-M327030

Product Information

• Name: 2-Methyl Simvastatin (Mixture Of Diasteroisomers)
• Synonyms: Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-5-methyl-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl 2,2-dimethylbutanoate, 5-Methylsimvastatin, (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R,5RS)-4-Hydroxy-5-methyl-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-Dimethylbutanoate
• Brand: TRC
• Description: Impurity Impurity NApplications 2-Methyl Simvastatin is an impurity of Simvastatin (S485000), a competitive inhibitor of HMG-CoA reductase.References Andelija, M., et. al.: J. Liq. Chromatogr. R. T., 32, 874 (2009); Hoffman, W.F., et al.: J. Med. Chem., 29, 849 (1986); Mol, M.J., et al.: Lancet, 2, 936 (1986)

Chemical properties

• Molecular weight: 432.59
• Formula: C₂₆H₄₀O₅
• Color/Form: White To Off-White
• InChI: InChI=1S/C26H40O5/c1-7-26(5,6)25(29)31-22-13-15(2)12-18-9-8-16(3)20(23(18)22)11-10-19-14-21(27)17(4)24(28)30-19/h8-9,12,15-17,19-23,27H,7,10-11,13-14H2,1-6H3/t15-,16-,17?,19+,20-,21+,22-,23-/m0/s1
• InChI key: InChIKey=NJRLXFRIDIFWPB-ZURORQQOSA-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]3C[C@@H](O)C(C)C(=O)O3)[C@H]21