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Record Information
HMDB Statusdetected
Creation Date2024-02-21 00:06:22 UTC
Update Date2025-03-21 18:29:27 UTC
HMDB IDHMDB0246982
Metabolite Identification
DeepMet IDDMID00077436
NameNorquetiapine
Frequency37.9
Structure
Chemical FormulaC17H17N3S
Molecular Mass295.1143
SMILESc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2
InChI KeyJLOAJISUHPIQOX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzothiazepines
Subclass dibenzothiazepines
Direct Parent dibenzothiazepines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amidines
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • diarylthioethers
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • piperazines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • organic 1,3-dipolar compound
  • amidine
  • secondary amine
  • aryl thioether
  • propargyl-type 1,3-dipolar organic compound
  • dibenzothiazepine
  • piperazine
  • aromatic heteropolycyclic compound
  • thioether
  • 1,4-diazinane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • imidolactam
  • amine
  • diarylthioether