CAS No. 1310726-60-3

(3S,4R)-3-Ethyl-4-(3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide Pricing >

 

Product Information

Chemical Formula: C17H19F3N6O
Molecular Weight:380.37
Synonyms:Upadacitinib; Abt-494; Abt-494(Upadacitinib) Free Base; Upadacitinib (Abt-494)
MDL No.:MFCD30502663
EINECS / EC No.:N/A
Pubchem CID:58557659
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
Standard 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:CCC1CN(CC1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F
Appearance:-
Melting Point:N/A
Boiling Point:N/A
Density (Theoretical):N/A

Safety Information

Signal Word: Warning
Hazard Statements:H302
Precautionary Statements:P280-P305 P351 P338
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07