Nombre del analito

(S,S)-Upadacitinib

Fórmula molecular

C17H19F3N6O

Peso molecular

380.38

Masa exacta

380.16

SMILES

CC[C@@H]1CN(C[C@H]1C2=CN=C3C=NC4=C(N32)C=CN4)C(NCC(F)(F)F)=O

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

IUPAC

(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

País de origen

CANADA

Formato del producto

Neat