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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:37 UTC
Update Date2025-03-21 18:38:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00119135
Frequency21.9
Structure
Chemical FormulaC21H23ClN2O
Molecular Mass354.1499
SMILESOCCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InChI KeyHKRWABWYWRETGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzocycloheptapyridines
Subclass benzocycloheptapyridines
Direct Parent benzocycloheptapyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 2-halopyridines
  • alcohols and polyols
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organochlorides
  • organopnictogen compounds
  • piperidines
  • polyhalopyridines
  • trialkylamines
    • Substituents
  • polyhalopyridine
  • organochloride
  • organohalogen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • piperidine
  • tertiary amine
  • alkanolamine
  • aryl chloride
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • aryl halide
  • pyridine
  • organic oxygen compound
  • benzocycloheptapyridine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound