Chemical Compound

niraxostat

CAS Registry Number206884-98-2
niraxostat chemical structure
Primary record

niraxostat

CAS
206884-98-2
PubChem CID
449035
SMILES
CC(C)(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N
Molecular Formula
C16H17N3O3
Molecular Weight
299.33
Exact Mass
299.127
InChI
InChI=1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21)
InChIKey
AETHRPHBGJAIBT-UHFFFAOYSA-N
LogP
2.8671
TPSA
88.14

Names and synonyms

  • niraxostat
  • Piraxostat
  • niraxostatum
  • Niraxostat [INN]
  • 206884-98-2
  • RefChem:166004
  • Y-700
  • D0E4FM
  • AC1L9MN7
  • CHEMBL169526
  • UNII-246FR6022S
  • MLS006010327
  • SCHEMBL440021
  • DTXSID70174747
  • orb1304273
  • ZINC7343
  • 246FR6022S
  • DTXCID1097238
  • SCHEMBL29693309
  • Y 700
  • AETHRPHBGJAIBT-UHFFFAOYSA-N
  • GLXC-25633
  • GIA88498
  • BDBM50098068
  • CID449035
  • AKOS040753276
  • DB03841
  • 1-[3-Cyano-4-(2,2-dimethyl-propoxy)-phenyl]-1H-pyrazole-4-carboxylic acid
  • NCGC00263135-01
  • HY-14669