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2243639-98-5Atorvastatin Impurity 138 Calcium Salt

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Catalogue No.:	VE0026810
CAS No.:	2243639-98-5
Mol. Formula:	C66H68CaF2N4O10
Mol. Weight:	1155.34 g/mol

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Additional information on CAS 2243639-98-5

Parent drug

Atorvastatin

IUPAC Name

calcium bis((3R,5R)-7-[2-(2-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate)

Smiles

O=C([O-])C[C@H](O)C[C@H](O)CCN1C(C(C)C)=C(C(NC2=CC=CC=C2)=O)C(C3=CC=CC=C3)=C1C4=CC=CC=C4F.O=C([O-])C[C@@H](O)C[C@@H](O)CCN5C(C(C)C)=C(C(NC6=CC=CC=C6)=O)C(C7=CC=CC=C7)=C5C8=CC=CC=C8F.[Ca+2]

InChI

InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-23-13-7-4-8-14-23)29(22-11-5-3-6-12-22)32(26-15-9-10-16-27(26)34)36(31)18-17-24(37)19-25(38)20-28(39)40;/h2*3-16,21,24-25,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*24-,25-;/m10./s1

Description

Atorvastatin Impurity 138 Calcium Salt (CAS 2243639-98-5) is a degradation-related byproduct encountered during synthesis and storage of atorvastatin active pharmaceutical ingredient, presenting as a calcium-coordinated ionic species with altered solubility and chromatographic retention. Proper identification by LC-MS, NMR and HRMS is critical for structural confirmation, while method development must address peak tailing and variable response factors due to salt formation. Risk assessment focuses on formation pathways, stability under humid and basic conditions, and potential impact on assay and purity specifications. Controlled manufacturing parameters, targeted purification and validated analytical limits support regulatory compliance and quality assurance for atorvastatin drug substance.