N- Nitroso Upadacitinib
Impurity
This molecule is a impurity of Upadacitinib.
Technical Data
Cat. No.ANTPRD14822
CAS—
Mol. FormulaC17H18F3N7O2
Mol. Weight409.372 g/mol
IUPAC(3S,4R)-3-ethyl-4-(5-nitroso-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3c(ccn3N=O)n12
InChIInChI=1S/C17H18F3N7O2/c1-2-10-7-25(16(28)23-9-17(18,19)20)8-11(10)13-5-21-14-6-22-15-12(27(13)14)3-4-26(15)24-29/h3-6,10-11H,2,7-9H2,1H3,(H,23,28)/t10-,11+/m1/s1
InChI KeyQCNULZHGHQQWQR-MNOVXSKESA-N
Description
Overview
N- Nitroso Upadacitinib, Upadacitinib, (3S,4R)-3-ethyl-4-(5-nitroso-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
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Synonyms
N-Nitroso UpadacitinibUpadacitinib Nitroso Impurity 133(3S,4R)-3-ethyl-4-(3-nitroso-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
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