Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:22 UTC
Update Date2025-03-25 00:56:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218380
Frequency0.5
Structure
Chemical FormulaC19H19Cl2N
Molecular Mass331.0895
SMILESClc1ccc(C2(c3ccc(Cl)cc3)CN3CCC2CC3)cc1
InChI KeyPTJQLGUDSAWVLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aryl chlorides
  • azacyclic compounds
  • chlorobenzenes
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • phenylpiperidines
  • quinuclidines
  • trialkylamines
  • Substituents
  • aryl chloride
  • chlorobenzene
  • diphenylmethane
  • azacycle
  • quinuclidine
  • organochloride
  • tertiary aliphatic amine
  • organohalogen compound
  • aryl halide
  • aromatic heteropolycyclic compound
  • phenylpiperidine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • piperidine
  • amine
  • tertiary amine
  • organoheterocyclic compound