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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:28 UTC
Update Date2025-03-21 18:03:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00046885
Frequency71.2
Structure
Chemical FormulaC22H26N4OS
Molecular Mass394.1827
SMILESCC(=O)NCCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
InChI KeyMDXQQJMDJUMYHN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • amidines
  • amino acids and derivatives
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diarylthioethers
  • hydrocarbon derivatives
  • imidolactams
  • n-alkylpiperazines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • carbonyl group
  • amino acid or derivatives
  • amidine
  • carboxylic acid derivative
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • organic oxide
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • tertiary amine
  • acetamide
  • diarylthioether
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound