842103-12-2Atorvastatin EP Impurity B (Free Base)

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Catalogue No.:	VE009319
CAS No.:	842103-12-2
Mol. Formula:	C33H35FN2O5
Mol. Weight:	558.65 g/mol

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Additional information on CAS 842103-12-2

Parent drug

Atorvastatin

IUPAC Name

(3RS,5SR)-7-[2-(4-Fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic Acid

Pharmacopoeial Synonyms

N/A

Other Synonyms

N/A

Smiles

O=C(O)C[C@@](O)([H])C[C@](O)([H])CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC=C3)C(C(NC4=CC=CC=C4)=O)=C1C(C)C

InChI

InChI=1S/C33H35FN2O5/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)/t26-,27+/m0/s1

Description

Atorvastatin EP Impurity B (Free Base), CAS 842103-12-2, is a structurally related synthetic impurity associated with the atorvastatin calcium manufacturing route and with transformation of the statin side chain during process or stress conditions. With molecular formula C33H35FN2O5 and molecular weight 558.65 g/mol, it retains the fluorophenyl pyrrole pharmacophore while differing from the parent drug in stereochemical or substituent arrangement, which affects chromatographic behavior and impurity profiling. Determination typically requires reversed-phase LC coupled to UV, LC-MS/MS, or high-resolution MS, with orthogonal characterization by NMR and, where necessary, LC-ELSD or HPLC-UV for trace-level quantification within regulatory impurity specifications.

References

McIver, L. A., & Siddique, M. S. (2022, September 2). Atorvastatin. Retrieved October 31, 2022, from Nih.gov website: https://www.ncbi.nlm.nih.gov/books/NBK430779/