Chemical Compound

Dacomitinib

CAS Registry Number1110813-31-4
Dacomitinib chemical structure
Primary record

Dacomitinib

CAS
1110813-31-4
PubChem CID
11511120
SMILES
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4
Molecular Formula
C24H25ClFN5O2
Molecular Weight
469.948
Exact Mass
469.1681
InChI
InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
InChIKey
LVXJQMNHJWSHET-AATRIKPKSA-N
LogP
5.1551
TPSA
79.38

Names and synonyms

  • Dacomitinib
  • 1110813-31-4
  • Vizimpro
  • dacomitinibum
  • Dacomitinib anhydrous
  • Dacomitinib [USAN]
  • Dacomitinib monohydrate
  • Dacomitinib (INN)
  • Dacomitinib (PF299804)
  • DACOMITINIB HYDRATE
  • PF-00299804
  • Dacomitinib (PF299804, PF299)
  • Dacomitinib (Standard)
  • Dacomitinib [USAN:INN]
  • PF299804
  • RefChem:585148
  • C24H25ClFN5O2
  • DACOMITINIB [INN]
  • D06XXH
  • UNII-2XJX250C20
  • Dacomitinib, PF299804
  • 2XJX250C20
  • MFCD19443734
  • SCHEMBL33147
  • DACOMITINIB [WHO-DD]
  • cc-194
  • MLS006011275
  • CHEBI:132268
  • DTXSID50149493
  • PF-299