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Upadacitinib hemihydrate

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Upadacitinib hemihydrate Basic information

Product Name:
Upadacitinib hemihydrate
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)-
  • Upadacitinib hemihydrate
  • Upadacitinib Hydrate
  • Cinchonanium, 1-[13,5-bis(trifluoromethyllphenyllmethyl]-9-hydroxy-1'- [[3-(trifluoromethyl)phenyllmethyl},bromide(1:2), (8a,9R)-"
  • ABT 494 hemihydrate
  • ABT494 hemihydrate
  • ABT-494 hemihydrate
CAS:
2050057-56-0
MF:
C17H21F3N6O2
MW:
398.39
Product Categories:
  • API
Mol File:
2050057-56-0.mol
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Upadacitinib hemihydrate Chemical Properties

InChI
InChI=1/C17H19F3N6O.H2O/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);1H2/t10-,11+;/s3
InChIKey
VJSRYIXHEWRBKD-NFGOAHBONA-N
SMILES
C([C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1C1=CN=C2C=NC3NC=CC=3N12)C.O |&1:1,13,r|
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Upadacitinib hemihydrate Usage And Synthesis

Clinical Use

RINVOQ is indicated for the treatment of moderate to severe active rheumatoid arthritis in adult patients who have responded inadequately to, or who are intolerant to one or more disease-modifying anti-rheumatic drugs (DMARDs). RINVOQ may be used as monotherapy or in combination with methotrexate. Each prolonged-release tablet (RINVOQ 15 mg prolonged-release tablets.) contains upadacitinib hemihydrate, equivalent to 15 mg of upadacitinib.

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