CAS 1105067-88-6 (3S,5S)-Atorvastatin Calcium Salt - Analytical Products / Alfa Chemistry

CAT	APS1105067886
CAS	1105067-88-6
Structure
Synonyms	Atorvastatin Imp. E (EP), Atorvastatin USP RC E,Atorvastatin Related Compound E (USP), Atorvastatin Calcium Trihydrate Imp. E (EP), (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 USP Related Compound E
IUPAC Name	calcium;(3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
Molecular Weight	1155.34
Molecular Formula	2C33H34FN2O5.Ca
Canonical SMILES	[Ca+2].CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@H](O)C[C@H](O)CC(=O)[O-].CC(C)c5c(C(=O)Nc6ccccc6)c(c7ccccc7)c(c8ccc(F)cc8)n5CC[C@H](O)C[C@H](O)CC(=O)[O-]
InChI	InChI=1S/2C33H35FN2O5.Ca/c21-21(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;/h23-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m00./s1

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