Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide

CAS: 1105067-87-5

Ref. TR-A791705

Product Information

• Name: Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide
• Synonyms: (3R,5R)-7-[[(3R,5R)-7-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]-3,5-dihydroxy-1-oxoheptyl]amino]-3,5-dihydroxyheptanoic Acid Calcium Salt (2:1), Calcium (3R,5R)-7-[[(3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]-3,5-dihydroxy-1-oxoheptyl]amino]-3,5-dihydroxyheptanoate (1:2)
• CAS: 1105067-87-5

Description

Impurity Atorvastatin EP Impurity F
Stability Hygroscopic
Applications Atorvastatin (A791750) impurity.
References Graul, A., et al.: Drugs Fut., 22, 956 (1997),

• Brand: TRC

Chemical properties

• Molecular weight: 1473.71
• Formula: C₄₀H₄₈FN₃O₈·5Ca
• Color/Form: White to Pale Yellow Solid
• InChI: InChI=1S/2C40H48FN3O8.Ca/c2*1-25(2)38-37(40(52)43-29-11-7-4-8-12-29)36(26-9-5-3-6-10-26)39(27-13-15-28(41)16-14-27)44(38)20-18-31(46)22-32(47)23-34(49)42-19-17-30(45)21-33(48)24-35(50)51;/h2*3-16,25,30-33,45-48H,17-24H2,1-2H3,(H,42,49)(H,43,52)(H,50,51);/q;;+2/p-2/t2*30-,31-,32-,33-;/m11./s1
• SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)NCC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)NCC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]