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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:05 UTC
Update Date2025-03-21 18:35:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105644
Frequency25.6
Structure
Chemical FormulaC31H31ClN2O
Molecular Mass482.2125
SMILESOC1(c2ccc(Cl)cc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccn2)CC1
InChI KeyNTUVWDLPRGACGQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • aryl chlorides
  • azacyclic compounds
  • chlorobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • organochlorides
  • organopnictogen compounds
  • phenylpiperidines
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • diphenylmethane
  • aromatic heteromonocyclic compound
  • organochloride
  • organohalogen compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • aryl chloride
  • chlorobenzene
  • alcohol
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • aryl halide
  • tertiary alcohol
  • pyridine
  • organic oxygen compound
  • phenylpiperidine
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound