CAS 222412-87-5 Atorvastatin-d5 Sodium Salt - Analytical Products / Alfa Chemistry

CAT	APS222412875
CAS	222412-87-5
Synonyms	(3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-(phenyl-d5)-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid sodium salt, (βR,δR)-2-(p-Fluorophenyl)-β,δ-dihydroxy-5-isopropyl-3-(phenyl-d5)-4-(phenylcarbamoyl)pyrrole-1-heptanoic acid sodium salt,1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-(phenyl-d5)-4-[(phenylamino)carbonyl]-, monosodium salt, (βR,δR)- (9CI), Atorvastatin-d5 sodium salt, Atorvastatin-D5 sodium salt (3-phenyl-D5)
IUPAC Name	sodium;(3R,5R)-7-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
Molecular Weight	585.65
Molecular Formula	C332H5H29FN2O5.Na
Canonical SMILES	[Na+].[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c2c4ccc(F)cc4
InChI	InChI=1S/C33H35FN2O5.Na/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

Accurate Mass	585.2663
Format	Neat
Subcategory	Chiral molecules, Enzyme inhibitors, Stable isotope labelled compounds, Pharmaceutical
Type	Stable Isotope Labelled