Atorvastatin Calcium Salt Trihydrate

CAS: 344423-98-9

Ref. TR-A791908

Product Information

• Name: Atorvastatin Calcium Salt Trihydrate
• Synonyms: Atorvastatin calcium trihydrate, Calcium (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate trihydrate, 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt, hydrate (2:1:3), (βR,δR)-, 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), trihydrate, (βR,δR)- (9CI), Atorvastatin hemicalcium sesquihydrate
• Brand: TRC
• Description: Applications Atorvastatin Calcium Salt Trihydrate is a compound used as standard in the method development and validation for simultaneous determination of Atorvastatin calcium (A791750) and Ezetimibe (E975000) in tablets using UV spectrophotometric, HPLC and HPTLC methods.References Rajamanickam, V., et al.: World Appl. Sci. J., 9, 1424-1429 (2010)

Chemical properties

• Molecular weight: 1209.39
• Formula: C₃₃H₃₄FN₂O₅·Ca·3H₂O
• Color/Form: Neat
• InChI: InChI=1S/2C33H35FN2O5.Ca.3H2O/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;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/q;;+2;;;/p-2/t2*26-,27-;;;;/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)[O-].[Ca+2]