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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:38 UTC
Update Date2025-03-25 00:58:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02228008
Frequency0.5
Structure
Chemical FormulaC23H23BrN2
Molecular Mass406.1045
SMILESBrc1ccc(C(CCN2CCc3ccccc3C2)c2ccccn2)cc1
InChI KeyJIKNQNYMFHOKHH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classtetrahydroisoquinolines
Subclass tetrahydroisoquinolines
Direct Parent tetrahydroisoquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aralkylamines
  • aryl bromides
  • azacyclic compounds
  • bromobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organobromides
  • organopnictogen compounds
  • pyridines and derivatives
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • bromobenzene
  • organohalogen compound
  • aralkylamine
  • aryl halide
  • pyridine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • tetrahydroisoquinoline
  • organobromide
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • halobenzene
  • aryl bromide
  • amine
  • tertiary amine