Chemical Compound

Abrocitinib

CAS Registry Number1622902-68-4
Abrocitinib chemical structure
Primary record

Abrocitinib

CAS
1622902-68-4
PubChem CID
78323835
SMILES
CCCS(=O)(=O)NC1CC(C1)N(C)C2=NC=NC3=C2C=CN3
Molecular Formula
C14H21N5O2S
Molecular Weight
323.422
Exact Mass
323.1416
InChI
InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)
InChIKey
IUEWXNHSKRWHDY-UHFFFAOYSA-N
LogP
1.2545
TPSA
90.98

Names and synonyms

  • Abrocitinib
  • Cibinqo
  • 1622902-68-4
  • Abrocitinib [USAN]
  • PF-04965842
  • Cibinqo (TN)
  • Abrocitinib (Standard)
  • UNII-73SM5SF3OR
  • RefChem:926945
  • 73SM5SF3OR
  • ABROCITINIB [INN]
  • ABROCITINIB [JAN]
  • Abrocitinib (JAN/USAN)
  • ABROCITINIB [WHO-DD]
  • CHEMBL4101725
  • GTPL9991
  • orb1296253
  • CHEMBL3655081
  • SCHEMBL15970412
  • SCHEMBL15970413
  • SCHEMBL29358939
  • SCHEMBL30562998
  • C14H21N5O2S
  • PF-04965842(Abrocitinib)
  • MFCD30187577
  • Abrocitinib (PF-04965842)
  • BDBM159748
  • BDBM642616
  • DTXSID301126581
  • PF-04965842 (Abrocitinib)