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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:10 UTC
Update Date2025-03-21 18:02:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00036577
Frequency96.6
Structure
Chemical FormulaC13H21ClN6
Molecular Mass296.1516
SMILESN=C(NCCCCCN)NC(=N)Nc1ccc(Cl)cc1
InChI KeyXTIDXGJRZRDCCJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent 1-arylbiguanides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl chlorides
  • carboximidamides
  • chlorobenzenes
  • hydrocarbon derivatives
  • imines
  • monoalkylamines
  • organochlorides
  • organopnictogen compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • monocyclic benzene moiety
  • imine
  • organochloride
  • carboximidamide
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-arylbiguanide
  • benzenoid
  • primary aliphatic amine
  • halobenzene