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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:57 UTC
Update Date2025-03-25 00:49:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176079
Frequency0.5
Structure
Chemical FormulaC27H29N5OS
Molecular Mass471.2093
SMILESNc1ccc(C(=O)NCCCN2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)cc1
InChI KeyPNZSQAYCSWZIAU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • amino acids and derivatives
  • azacyclic compounds
  • benzamides
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • diarylthioethers
  • hydrocarbon derivatives
  • imidolactams
  • n-alkylpiperazines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • amino acid or derivatives
  • benzoyl
  • amidine
  • carboxylic acid derivative
  • aryl thioether
  • benzamide
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • organic oxide
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • tertiary amine
  • diarylthioether
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • benzoic acid or derivatives
  • organic 1,3-dipolar compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound