Upadacitinib Enantiomer

cas: 1310726-59-0 — see every product listed under this CAS number, including other names

Upadacitinib Enantiomer (CAS 1310726-59-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULU103024
cas1310726-59-0
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categoryChemicals
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Structural formula: {0} (CAS {1})

(3R,4S)-3-ethyl-4-(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 (CAS 1310726-59-0) is a chemical compound with the molecular formula C17H19F3N6O and a molecular weight of 380.4 g/mol. IUPAC name: (3R,4S)-3-ethyl-4-(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. InChIKey: WYQFJHHDOKWSHR-WDEREUQCSA-N.

Identity
Molecular formulaC17H19F3N6O
Molecular weight380.4 g/mol
IUPAC name(3R,4S)-3-ethyl-4-(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
InChIKeyWYQFJHHDOKWSHR-WDEREUQCSA-N
SMILESCC[C@H]1CN(C[C@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F

Computed by PubChem (NCBI)

Synonyms: Upadacitinib Impurity 28, ent-Upadacitinib, Upadacitinib Enantiomer, WYQFJHHDOKWSHR-WDEREUQCSA-N
Related forms of this compound
(3S,4R)-3-ethyl-4-(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 C17H19F3N6O

Also listed as

ABT-494 enantiomer TRC CAS 1310726-59-0
ABT-494 enantiomer 98% Ambeed CAS 1310726-59-0
(3R,4S)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-1-pyrrolidinecarboxamide, 98%, 98% Chemat CAS 1310726-59-0