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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:13 UTC
Update Date2025-03-25 00:54:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204042
Frequency0.5
Structure
Chemical FormulaC21H25Cl2NO
Molecular Mass377.1313
SMILESOC(CCCN1CCC(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChI KeyJSMCPSYLCJJMFS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass phenylpiperidines
Direct Parent phenylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • aryl chlorides
  • azacyclic compounds
  • dichlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • phenylbutylamines
  • secondary alcohols
  • trialkylamines
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • organochloride
  • organohalogen compound
  • phenylbutylamine
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-dichlorobenzene
  • tertiary amine
  • aryl chloride
  • chlorobenzene
  • alcohol
  • azacycle
  • tertiary aliphatic amine
  • aryl halide
  • organic oxygen compound
  • phenylpiperidine
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine
  • organooxygen compound