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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:00 UTC
Update Date2025-03-25 00:50:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183075
Frequency0.5
Structure
Chemical FormulaC20H24N4O4S
Molecular Mass416.1518
SMILESO=S1(=O)c2ccccc2N=C(N2CCN(CCOCCO)CC2)c2ncccc21
InChI KeyPDTGUTGAWLTTCA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass benzothiazepines
Direct Parent benzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • alcohols and polyols
  • amidines
  • azacyclic compounds
  • benzenoids
  • dialkyl ethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • n-alkylpiperazines
  • organic oxides
  • organopnictogen compounds
  • polyhalopyridines
  • propargyl-type 1,3-dipolar organic compounds
  • sulfones
  • trialkylamines
    • Substituents
  • ether
  • polyhalopyridine
  • amidine
  • dialkyl ether
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • benzothiazepine
  • 2-halopyridine
  • imidolactam
  • tertiary amine
  • alcohol
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • organic 1,3-dipolar compound
  • pyridine
  • organic oxygen compound
  • 1,4-diazinane
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound
  • sulfone