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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:11 UTC
Update Date2025-03-25 00:49:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172006
Frequency0.5
Structure
Chemical FormulaC16H15Cl2N
Molecular Mass291.0582
SMILESCNC1c2ccc(Cl)cc2CCc2cc(Cl)ccc21
InChI KeyXZKPJXCRUJJXGQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classdibenzocycloheptenes
Subclass dibenzocycloheptenes
Direct Parent dibenzocycloheptenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl chlorides
  • dialkylamines
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
    • Substituents
  • aryl chloride
  • secondary aliphatic amine
  • organochloride
  • aromatic homopolycyclic compound
  • secondary amine
  • organohalogen compound
  • dibenzocycloheptene
  • aryl halide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine