Catalog Number:
AG01E0UI
Chemical Name:
Upadacitinib
CAS Number:
1310726-60-3
Molecular Formula:
C17H19F3N6O
Molecular Weight:
380.3676
MDL Number:
MFCD30502663
IUPAC Name:
(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
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
InChI Key:
WYQFJHHDOKWSHR-MNOVXSKESA-N
SMILES:
CC[C@@H]1CN(C[C@@H]1c1cnc2n1c1cc[nH]c1nc2)C(=O)NCC(F)(F)F
UNII:
4RA0KN46E0
