CAS 791553-16-7 Atorvastatin impurity B - Analytical Products / Alfa Chemistry

CAT	APS791553167
CAS	791553-16-7
Structure
Synonyms	Atorvastatin Calcium Trihydrate Imp. B (EP),(βR,δS)-rel-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid, 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, (R,S)- (9CI)
IUPAC Name	(3R,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Molecular Weight	558.64
Molecular Formula	C33H35FN2O5
Canonical SMILES	CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@H](O)C[C@@H](O)CC(=O)O
InChI	InChI=1S/C33H35FN2O5/c1-21(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/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27+/m0/s1

Accurate Mass	558.253
API Family	Matrix - API Family See respective official monograph(s)
Format	Neat
Product Type	Impurity
Shipping	Room Temperature
Storage Conditions	2-8°C Fridge/Coldroom
Subcategory	European Pharmacopoeia (Ph. Eur.)