CAS 222412-82-0 Atorvastatin-d5 Calcium Salt - Analytical Products / Alfa Chemistry

CAT	APS222412820
CAS	222412-82-0
IUPAC Name	calcium;(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	1165.40
Molecular Formula	2C332H5H29FN2O5.Ca
Canonical SMILES	[Ca+2].[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.[2H]c5c([2H])c([2H])c(c([2H])c5[2H])c6c(C(=O)Nc7ccccc7)c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c6c8ccc(F)cc8
InChI	InChI=1S/C33H35FN2O5.Ca/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);/q;+2/p-1/t26-,27-;/m1./s1/i3D,5D,6D,9D,10D;

Accurate Mass	1164.5157
Format	Neat
Product Type	Stable Isotope Labelled
Shipping	Room Temperature
Size	5MG
Storage Conditions	-20°C Freezer
Subcategory	Chiral molecules, Enzyme inhibitors, Stable isotope labelled compounds