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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:13 UTC
Update Date2025-03-25 00:47:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162930
Frequency0.5
Structure
Chemical FormulaC24H25ClN2O3S
Molecular Mass456.1274
SMILESO=C(C1CCS(=O)(=O)C1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
InChI KeyDGLOIBBVDSAWBC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzocycloheptapyridines
Subclass benzocycloheptapyridines
Direct Parent benzocycloheptapyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-acylpiperidines
  • organic oxides
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • pyridines and derivatives
  • sulfones
  • tertiary carboxylic acid amides
  • thiolanes
    • Substituents
  • thiolane
  • carbonyl group
  • polyhalopyridine
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • piperidine
  • aryl chloride
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • aryl halide
  • n-acyl-piperidine
  • pyridine
  • organic oxygen compound
  • benzocycloheptapyridine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • sulfone