Upadacitinib hemihydrate

Name: Upadacitinib hemihydrate
SKU: PI2050057560
Rating: 5 (1 reviews)

Catalog NumberPI2050057560

CAS Number2050057-56-0

CategoryDrugs Influencing Immune Function

Product Details

Molecular Formula	C34H40F6N12O3
Molecular Weight	778.8
Key Use	It is indicated for rheumatoid arthritis.

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Other Identifiers

IUPAC Name	bis((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
InChI	InChI=1S/2C17H19F3N6O.H2O/c21-2-10-7-25(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;/h23-6,10-11,21H,2,7-9H2,1H3,(H,24,27);1H2/t2*10-,11+;/m11./s1
InChI Key	GJMQTRCDSIQEFK-SCDRJROZSA-N
Canonical 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

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