Chemical Compound

Vonoprazan

CAS Registry Number881681-00-1
Vonoprazan chemical structure
Primary record

Vonoprazan

CAS
881681-00-1
PubChem CID
15981397
SMILES
CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3
Molecular Formula
C17H16FN3O2S
Molecular Weight
345.399
Exact Mass
345.0947
InChI
InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3
InChIKey
BFDBKMOZYNOTPK-UHFFFAOYSA-N
LogP
2.6456
TPSA
63.99

Names and synonyms

  • Vonoprazan
  • TAK-438 free base
  • 881681-00-1
  • takecab
  • Vocinti
  • vonoprazanum
  • Vonoprazan [INN]
  • Vonoprazan free base
  • Voquezna&reg
  • TAK-438
  • Vonoprazan?
  • Vonoprazan [USAN]
  • Vonoprazan Fumarate
  • Vonoprazan (Standard)
  • RefChem:56220
  • VONOPRAZAN [MI]
  • Vonoprazan (USAN/INN)
  • Vonoprazan [USAN:INN]
  • TAK-438 (free base)
  • UNII-1R5L3J156G
  • TAK438
  • 1R5L3J156G
  • VONOPRAZAN [WHO-DD]
  • MFCD27987913
  • SCHEMBL194487
  • DTXSID20236869
  • 881681-00-1 (free base)
  • C17H16FN3O2S
  • orb1745262
  • SCHEMBL1580399