Chemical Compound

Abrucomstat

CAS Registry Number100502-66-7
Abrucomstat chemical structure
Primary record

Abrucomstat

CAS
100502-66-7
PubChem CID
10011893
SMILES
C(CO)CO[N+](=O)[O-]
Molecular Formula
C3H7NO4
Molecular Weight
121.092
Exact Mass
121.0375
InChI
InChI=1S/C3H7NO4/c5-2-1-3-8-4(6)7/h5H,1-3H2
InChIKey
PTMLFFXFTRSBJW-UHFFFAOYSA-N
LogP
-0.4229
TPSA
72.6

Names and synonyms

  • Abrucomstat
  • 3-Nitrooxypropanol
  • 3-hydroxypropyl Nitrate
  • 3-Nitroxypropanol
  • Bovaer
  • Abrucomstat?
  • Abrucomstat [USAN]
  • 100502-66-7
  • 3 NP compound
  • 3-NOP
  • 1,3-PROPANEDIOL, 1-NITRATE
  • 3-(Nitrooxy)propan-1-ol
  • 3NOP
  • 3-nitrooxypropan-1-ol
  • 3-Nitrooxypropane-1-ol
  • RefChem:551402
  • ABRUCOMSTAT [INN]
  • 1,3-Propanediol, mononitrate
  • 3-(Nitrooxy)propane-1-ol
  • 3-Nitroxypropanol; 3-NOP
  • 1,3-Propanediole mononitrate
  • C3H7NO4
  • SCHEMBL220976
  • UNII-582N19CWP9
  • 3-NITROOXY-1-PROPANOL
  • 582N19CWP9
  • orb1692039
  • CHEMBL1817841
  • DTXSID10760800
  • CHEBI:232818