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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:47 UTC
Update Date2025-03-25 00:51:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184802
Frequency0.5
Structure
Chemical FormulaC14H21ClN6O2
Molecular Mass340.1415
SMILESN=C(NCCCC(=O)NCCO)NC(=N)Nc1ccc(Cl)cc1
InChI KeyQCSCVKHFQVYVSG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent 1-arylbiguanides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkanolamines
  • aryl chlorides
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • chlorobenzenes
  • gamma amino acids and derivatives
  • hydrocarbon derivatives
  • imines
  • n-acyl amines
  • n-acylethanolamines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • gamma amino acid or derivatives
  • imine
  • organochloride
  • fatty amide
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • organopnictogen compound
  • 1-arylbiguanide
  • alkanolamine
  • aryl chloride
  • chlorobenzene
  • alcohol
  • carboximidamide
  • carboxamide group
  • n-acylethanolamine
  • n-acyl-amine
  • aryl halide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • organooxygen compound