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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:25 UTC
Update Date2025-03-21 18:37:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116198
Frequency22.6
Structure
Chemical FormulaC21H21ClN2O2
Molecular Mass368.1292
SMILESO=C(CO)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InChI KeyKWXTUFYMKLGUSP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzocycloheptapyridines
Subclass benzocycloheptapyridines
Direct Parent benzocycloheptapyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alcohols and polyols
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • n-acylpiperidines
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • tertiary carboxylic acid amides
    • Substituents
  • carbonyl group
  • polyhalopyridine
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • piperidine
  • aryl chloride
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • carboxamide group
  • aryl halide
  • n-acyl-piperidine
  • pyridine
  • organic oxygen compound
  • benzocycloheptapyridine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound