(3S,5S)-7-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic Acid Calcium Salt (ent-Atorvastatin Calcium Salt)

CAS: 1105067-88-6

Ref. 86-MM0400.28-0025

Product Information

• Name: (3S,5S)-7-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic Acid Calcium Salt (ent-Atorvastatin Calcium Salt)
• Synonyms: Atorvastatin Imp. E (EP), Atorvastatin USP Related Compound E, Atorvastatin USP RC E, Atorvastatin Calcium Trihydrate Imp. E (EP),Atorvastatin Related Compound E (USP), (betaS,deltaS)-2-(4-fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-Pyrrole-1-heptanoic acid calcium salt (2:1), (3S,5S)-Atorvastatin Calcium Salt, Atorvastatin Related Compound E as Hemicalcium Salt, Atorvastatin Calcium Trihydrate Impurity E as Calcioum Salt, Atorvastatin Impurity E as Calcioum Salt
• CAS: 1105067-88-6
• Brand: Mikromol

Chemical properties

• Molecular weight: 1155.34
• Formula: C₃₃H₃₄FN₂O₅·Ca
• Color/Form: Neat
• InChI: /q, , /h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40), InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40, +2/p-2/t2*26-,27-, /m00./s1
• InChI key: InChIKey=BZIXRHDJKZLZQA-UHFFFAOYSA-N
• SMILES: CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[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)[O-].[Ca+2]