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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:22 UTC
Update Date2025-03-21 18:40:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130322
Frequency19.5
Structure
Chemical FormulaC24H23N3S
Molecular Mass385.1613
SMILESc1ccc(CN2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)cc1
InChI KeyRAXNUVCJBPTYQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • aralkylamines
  • azacyclic compounds
  • benzylamines
  • diarylthioethers
  • hydrocarbon derivatives
  • imidolactams
  • n-alkylpiperazines
  • organopnictogen compounds
  • phenylmethylamines
  • propargyl-type 1,3-dipolar organic compounds
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • amidine
  • aryl thioether
  • aralkylamine
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • tertiary amine
  • diarylthioether
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • phenylmethylamine
  • benzylamine
  • thioether
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine