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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:09 UTC
Update Date2025-03-25 00:49:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171939
Frequency0.5
Structure
Chemical FormulaC9H12ClN5
Molecular Mass225.0781
SMILESCN=C(NC(=N)N)Nc1ccc(Cl)cc1
InChI KeyDGJFUPCPIHHWEO-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
  • organochlorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • monocyclic benzene moiety
  • imine
  • organochloride
  • organic 1,3-dipolar compound
  • carboximidamide
  • organohalogen compound
  • aryl halide
  • propargyl-type 1,3-dipolar organic compound
  • aromatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-arylbiguanide
  • benzenoid
  • halobenzene