ABC00230GT

Atorvastatin related compound A

Atorvastatin related compound A is a calcium salt derived from the hydrolytic cleavage of the lactone ring in the parent drug's core structure, featuring a substituted pyrrole fused to an indole moiety. Its structure retains the characteristic 2-(4-fluorophenyl)ethyl group but incorporates a carboxylate functionality in place of the cyclic ester, alongside hydroxyl and ketone groups. This impurity arises via non-enzymatic degradation under alkaline conditions during API synthesis. It serves as a critical HPLC reference standard for quantifying process-related impurities in atorvastatin calcium formulations.

On Request
Molecular Formula C66H70CaN4O10
Molecular Weight 1119.4000
CAS Number 433289-83-9 โœ“ Verified
PubChem CID 92135123 โ†—
Purity N/A
Product Type API Impurity
Parent Drug Atorvastatin
Lead Time On Request
IUPAC Name calcium bis((3R,5R)-7-[2,3-diphenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate)
Official Reference Standards
Std Catalog # Quantity Price
USP 1044527 โ†— 20 mg USD 838.00

๐Ÿ“ Synonyms

433289-83-9 Defluoro Atorvastatin Calcium Salt RefChem:585618 809-234-5 Defluoro atorvastatin calcium Calcium (3R,5R)-3,5-dihydroxy-7-(2-isopropyl-4,5-diphenyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl)heptanoate Atorvastatin EP Impurity A Atorvastatin impurity A 1H-Pyrrole-1-heptanoic acid, ss,d-dihydroxy-2-(1-methylethyl)-4,5-diphenyl-3-[(phenylamino)carbonyl]-, calcium salt (2:1), (ssR,dR)-; Desfluoroatorvastatin Calcium Salt calcium;(3R,5R)-7-[2,3-diphenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

๐Ÿ”ฌ Chemical Identifiers

CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]
InChI=1S/2C33H36N2O5.Ca/c2*1-22(2)31-30(33(40)34-25-16-10-5-11-17-25)29(23-12-6-3-7-13-23)32(24-14-8-4-9-15-24)35(31)19-18-26(36)20-27(37)21-28(38)39;/h2*3-17,22,26-27,36-37H,18-21H2,1-2H3,(H,34,40)(H,38,39);/q;;+2/p-2/t2*26-,27-;/m11./s1
ILJBDHBNPXANQZ-MNSAWQCASA-L

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