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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:45 UTC
Update Date2025-03-25 00:51:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184718
Frequency0.5
Structure
Chemical FormulaC16H26ClN7O
Molecular Mass367.1887
SMILESN=C(NCCCCCCNC(=O)CN)NC(=N)Nc1ccc(Cl)cc1
InChI KeyIDSNZFWSLRLNRT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent 1-arylbiguanides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • aryl chlorides
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • chlorobenzenes
  • hydrocarbon derivatives
  • imines
  • monoalkylamines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • imine
  • organochloride
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • alpha-amino acid
  • organopnictogen compound
  • 1-arylbiguanide
  • aryl chloride
  • chlorobenzene
  • alpha-amino acid amide
  • carboximidamide
  • carboxamide group
  • aryl halide
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • halobenzene
  • organooxygen compound