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Upadacitinib Hemihydrate

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Upadacitinib Hemihydrate / CAS : 2050057-56-0

Appearance - UN -
HS 29420000 DG Class -
Synonyms 1-Pyrrolidinecarboxamide, 3-Ethyl-4-(3H-Imidazo[1,2-a]Pyrrolo[2,3-e]Pyrazin-8-yl)-N-(2,2,2-Trifluoroethyl)-, Hydrate (2:1), (3S,4R)-; ABT-494 Hemihydrate; (3S,4R)-3-Ethyl-4-(3H-Imidazolo[1,2-a]Pyrrolo[2,3-e]Pyrazin-8-yl)-N-(2,2,2-Trifluoroethyl)Pyrrolidine-1-Carboxamide Hydrate
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Properties

Summary

Formula
C17H21F3N6O2
Molecular Mass
398.39
Exact Mass
0
IUPAC
(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;hydrate
SMILES
CC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F.CC[C@@H]1CN(C[C@@H]1C2=CN=C3N2C4=C(NC=C4)N=C3)C(=O)NCC(F)(F)F.O

Attribute classification

Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Export information

HS Code
29420000
Export Rebate
13%

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