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Includes: HPLC, MASS/LC-MS, 1H NMR, FT-IR, Potency, Structure Elucidation Report (SER), and additional analytical data depending on the product.

Upadacitinib Isomer Impurity

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Catalogue No.:	VE0027854
CAS No.:	N/A
Mol. Formula:	C17H19F3N6O
Mol. Weight:	380.37 g/mol

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Additional information on

Parent drug

Upadacitinib

IUPAC Name

(3S,4S)-3-ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

Pharmacopeial Synonyms

N/A

Synonyms

N/A

Smiles

O=C(N1C[C@@H](CC)[C@H](C2=CN=C3C=NC(NC=C4)=C4N32)C1)NCC(F)(F)F

InChI

InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11-/m1/s1

Description

Upadacitinib Isomer Impurity is a stereoisomeric variant arising during synthesis or storage of upadacitinib. Characterized by identical molecular formula but altered stereochemistry, this impurity can coelute under nonoptimized chromatographic conditions and may impact potency and selectivity assays. Analytical identification employs chiral HPLC, LC-MS/MS, and NMR to confirm configurational assignment and quantify levels down to low ppm. Understanding formation pathways enables control strategies including chiral resolution, process optimization, and targeted degradation studies. Specifications typically tie to ICH guidelines for impurity profiling and risk assessment to support regulatory submissions and ensure drug substance quality and batch consistency.