ABC00228YJ

2-Hydroxy-Atorvastatin calcium salt

2-Hydroxy-Atorvastatin calcium salt is a structurally modified derivative of Atorvastatin, featuring an additional hydroxyl group at the C2 position of the pyrrole ring. This compound retains the core scaffold of the parent drug, including the 2-(4-fluorophenyl)-3-methyl-4-phenyl-1H-pyrrole-5-yl moiety, but incorporates a calcium counterion and a hydroxyl substitution at the ฮฒ-lactone ring's adjacent carbon. The hydroxylation introduces steric and electronic alterations, affecting metabolic stability and solubility. It arises as a degradation byproduct under oxidative stress conditions during Atorvastatin synthesis or storage. This compound serves as a critical HPLC reference standard for quantifying process-related impurities in atorvastatin calcium drug substance.

On Request
Molecular Formula C66H68CaF2N4O12
Molecular Weight 1187.3000
CAS Number 265989-46-6 โœ“ Verified
PubChem CID 15969744 โ†—
Purity N/A
Product Type API Impurity
Parent Drug Atorvastatin
Lead Time On Request
IUPAC Name calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate)

๐Ÿ“ Synonyms

265989-46-6 2-Hydroxy Atorvastatin Calcium Salt 2-Hydroxy atorvastatin (calcium salt) di(2-Hydroxy Atorvastatin) CalciuM Salt ortho-Hydroxy Atorvastatin Calcium Salt orb1296247 orb3141203 G13445 Calcium (3R,5R)-7-(2-(4-fluorophenyl)-4-((2-hydroxyphenyl)carbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-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=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4O.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4O.[Ca+2]
InChI=1S/2C33H35FN2O6.Ca/c2*1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41;/h2*3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);/q;;+2/p-2/t2*24-,25-;/m11./s1
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