Product Code

TRC-A242180

CAS Number

1310726-59-0

Product Format

Neat

Molecular Formula

C17 H19 F3 N6 O

Molecular Weight

380.368

Product Categories

TRC

Product Type

Impurity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

(+)-Upadacitinib

CAS Number

1310726-59-0

Molecular Formula

C17 H19 F3 N6 O

Molecular Weight

380.368

Accurate Mass

380.157

SMILES

CC[C@H]1CN(C[C@H]1c2cnc3cnc4[nH]ccc4n23)C(=O)NCC(F)(F)F

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+/m0/s1

IUPAC

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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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ABT-494 Enantiomer

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