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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:26 UTC
Update Date2025-03-21 18:33:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00096675
Frequency28.6
Structure
Chemical FormulaC22H29Cl2N9S
Molecular Mass521.1644
SMILESN=C(NCCCCCCNC(=N)NC(=S)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
InChI KeyOFTVCXHJNPETJO-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
  • n-phenylthioureas
  • organochlorides
  • organopnictogen compounds
  • thioureas
    • Substituents
  • aryl chloride
  • chlorobenzene
  • monocyclic benzene moiety
  • thiourea
  • n-phenylthiourea
  • imine
  • organochloride
  • carboximidamide
  • organosulfur compound
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1-arylbiguanide
  • benzenoid
  • halobenzene