Name: Atorvastatin-[d5] Sodium Salt
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-007908

CAS: 222412-87-5

Molecular Formula: C33H29D5FN2NaO5

Molecular Weight: 585.65

Chemical Structure

Description	Atorvastatin-[d5] Sodium Salt is the labelled salt of Atorvastatin. Atorvastatin, a HMG-CoA reductase inhibitor, could be used to reduce cholesterol and prevent cardiovascular related disease.
Synonyms	Atorvastatin-d5 Sodium Salt; (βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-(phenyl-d5)-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid Sodium; Lipitor-d5 Sodium
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
Related CAS	134523-01-6 (unlabelled) 134523-00-5 (unlabelled free acid)
Canonical SMILES	CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Na+]
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;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;+1/p-1/t26-,27-;/m1./s1/i3D,5D,6D,9D,10D;
InChI Key	VVRPOCPLIUDBSA-ADFDHUHVSA-M
Melting Point	198-201°C (dec.)
Purity	≥95%; ≥99% atom D
Solubility	Slightly soluble in Methanol
Appearance	Off-white to Pale Beige Solid
Storage	Store at -20°C under inert atmosphere