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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:24 UTC
Update Date2025-03-25 01:01:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248043
Frequency0.5
Structure
Chemical FormulaC28H28N4OS
Molecular Mass468.1984
SMILESCOc1ccc2[nH]cc(CCN3CCN(C4=Nc5ccccc5Sc5ccccc54)CC3)c2c1
InChI KeyPVTMAXAVMWDZQW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amidines
  • anisoles
  • azacyclic compounds
  • diarylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • indoles
  • n-alkylpiperazines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • indole
  • amidine
  • alkyl aryl ether
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • tertiary amine
  • diarylthioether
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • indole or derivatives
  • organic 1,3-dipolar compound
  • organic oxygen compound
  • thioether
  • anisole
  • 1,4-diazinane
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound