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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:10 UTC
Update Date2025-03-25 00:45:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151507
Frequency0.5
Structure
Chemical FormulaC17H14Cl2N2
Molecular Mass316.0534
SMILESN#Cc1ccc2c(c1)C(c1ccc(Cl)c(Cl)c1)CCC2N
InChI KeyFYTGUFBGVFTXNF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl chlorides
  • dichlorobenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • nitriles
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • tetralin
  • monocyclic benzene moiety
  • nitrile
  • organochloride
  • aromatic homopolycyclic compound
  • organohalogen compound
  • aryl halide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,2-dichlorobenzene
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene
  • carbonitrile