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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:24 UTC
Update Date2025-03-25 00:46:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156694
Frequency0.5
Structure
Chemical FormulaC16H13Cl2NO
Molecular Mass305.0374
SMILESO=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc2N1
InChI KeyMOXDTQUMXRCVGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzazepines
Subclass benzazepines
Direct Parent benzazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • azepines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dichlorobenzenes
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-dichlorobenzene
  • aryl chloride
  • chlorobenzene
  • azacycle
  • carboxamide group
  • aryl halide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • azepine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • benzazepine
  • organooxygen compound