Chemical Compound

Baricitinib

CAS Registry Number1187594-09-7
Baricitinib chemical structure
Primary record

Baricitinib

CAS
1187594-09-7
PubChem CID
44205240
SMILES
CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
Molecular Formula
C16H17N7O2S
Molecular Weight
371.426
Exact Mass
371.1164
InChI
InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
InChIKey
XUZMWHLSFXCVMG-UHFFFAOYSA-N
LogP
1.0957
TPSA
120.56

Names and synonyms

  • Baricitinib
  • olumiant
  • 1187594-09-7
  • baricitinibum
  • INCB028050
  • Baricitinib phosphate
  • Baricitinib [USAN]
  • Olumiant (TN)
  • INCB 028050
  • LY3009104
  • Baricitinib (phosphate)
  • Baricitinib [USAN:INN]
  • INCB-028050
  • Baricitinib (Standard)
  • RefChem:6387
  • UNII-ISP4442I3Y
  • ISP4442I3Y
  • BARICITINIB [MI]
  • BARICITINIB [INN]
  • BARICITINIB [JAN]
  • Baricitinib phosphate salt
  • C16H17N7O2S
  • D0Y7IC
  • JAK inhibitors: baricitinib
  • MFCD21608464
  • BARICITINIB [WHO-DD]
  • cc-652
  • CHEBI:95341
  • MLS006011247
  • SCHEMBL871150