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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 IDDMID02184743
Frequency0.5
Structure
Chemical FormulaC32H39ClN8S
Molecular Mass602.2707
SMILESN=C(NCCCCCCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1)NC(=N)Nc1ccc(Cl)cc1
InChI KeyITLUELGOIJPRPC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-arylbiguanides
  • amidines
  • aryl chlorides
  • azacyclic compounds
  • carboximidamides
  • chlorobenzenes
  • diarylthioethers
  • hydrocarbon derivatives
  • imidolactams
  • imines
  • n-alkylpiperazines
  • organochlorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • guanidine
  • imine
  • organochloride
  • amidine
  • organohalogen compound
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-arylbiguanide
  • imidolactam
  • tertiary amine
  • diarylthioether
  • aryl chloride
  • chlorobenzene
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • carboximidamide
  • aryl halide
  • arylbiguanide
  • thioether
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • biguanide
  • halobenzene
  • amine