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Substance Name: Upadacitinib tartrate [USAN]
RN: 1607431-21-9
UNII: 7KCW9IQM02
InChIKey: WQDBPGWQDBPVQZ-NBCXFSEXSA-N

Note

  • A JAK-1 inhibitor.

Classification Code

  • Treatment of Rheumatoid Arthritis and Crohn's Disease

Molecular Formula

  • C17-H19-F3-N6-O.C4-H6-O6.4H2-O

Molecular Weight

  • 530.4575
 
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Names and Synonyms

Name of Substance

  • Upadacitinib tartrate [USAN]

Synonyms

  • (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 (2R,3R)-2,3-dihydroxybutanedioate, tetrahydrate
  • ABT-494
  • UNII-7KCW9IQM02
  • Upadacitinib tartrate

Systematic Name

  • 1-Pyrrolidinecarboxamide, 3-ethyl-4-(3H-imidazo(1,2-a)pyrrolo(2,3-e)pyrazin-8-yl)-N-(2,2,2-trifluoroethyl)-, (3S,4R)-, (2R,3R)-2,3-dihydroxybutanedioate, hydrate (1:1:4)

Registry Numbers

CAS Registry Number

  • 1607431-21-9

FDA UNII

  • 7KCW9IQM02

System Generated Number

  • 1607431219

Structure Descriptors

InChI

1S/C17H19F3N6O.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27);1-2,5-6H,(H,7,8)(H,9,10)/t10-,11+;1-,2-/m11/s1

InChIKey

WQDBPGWQDBPVQZ-NBCXFSEXSA-N

Smiles

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