Upadacitinib N-ethyl (WPT-E)
Impurity
This molecule is a impurity of Upadacitinib.
Technical Data
Cat. No.ANTPRD12835
CAS—
Mol. FormulaC19H23F3N6O
Mol. Weight408.428 g/mol
IUPAC(3S,4R)-3-ethyl-4-(5-ethyl-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(ccn3CC)n12
InChIInChI=1S/C19H23F3N6O/c1-3-12-9-27(18(29)25-11-19(20,21)22)10-13(12)15-7-23-16-8-24-17-14(28(15)16)5-6-26(17)4-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,25,29)/t12-,13+/m1/s1
InChI KeyTVDDFNDPCGZJIT-OLZOCXBDSA-N
Description
Overview
Upadacitinib N-ethyl (WPT-E), Upadacitinib, (3S,4R)-3-ethyl-4-(5-ethyl-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
Upadacitinib Impurity 44N-Ethyl upadacitinib(3S,4R)-3-ethyl-4-(3-ethyl-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide(3S,4R)-3-Ethyl-4-(5-ethyl-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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