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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:43 UTC
Update Date2025-03-25 01:01:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248738
Frequency0.5
Structure
Chemical FormulaC21H28BrClN8
Molecular Mass506.1309
SMILESN=C(NCCCCCCNC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Br)cc1
InChI KeyLMHNPASAJAQJPE-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 bromides
  • aryl chlorides
  • bromobenzenes
  • carboximidamides
  • chlorobenzenes
  • hydrocarbon derivatives
  • imines
  • organobromides
  • organochlorides
  • organopnictogen compounds
    • Substituents
  • aryl chloride
  • chlorobenzene
  • monocyclic benzene moiety
  • imine
  • organochloride
  • bromobenzene
  • carboximidamide
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organobromide
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-arylbiguanide
  • benzenoid
  • halobenzene
  • aryl bromide