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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:40 UTC
Update Date2025-03-21 18:01:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00032918
Frequency110.7
Structure
Chemical FormulaC15H13Cl2N
Molecular Mass277.0425
SMILESClc1ccc(C2NCCc3ccccc32)cc1Cl
InChI KeyUOWYFERBGSCIER-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass 1-phenyltetrahydroisoquinolines
Direct Parent 1-phenyltetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • dialkylamines
  • dichlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • azacycle
  • organochloride
  • secondary amine
  • organohalogen compound
  • 1-phenyltetrahydroisoquinoline
  • aryl halide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,2-dichlorobenzene
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine