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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:16 UTC
Update Date2025-03-25 00:50:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179109
Frequency0.5
Structure
Chemical FormulaC17H22N2S
Molecular Mass286.1504
SMILESCSc1ccc(C(CCN(C)C)c2ccccn2)cc1
InChI KeyNVFJZEWZDWTIEL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pheniramines
Direct Parent pheniramines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alkylarylthioethers
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organopnictogen compounds
  • sulfenyl compounds
  • thiophenol ethers
  • thiophenols
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • pheniramine
  • alkylarylthioether
  • organosulfur compound
  • aryl thioether
  • thiophenol
  • thiophenol ether
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • tertiary amine
  • sulfenyl compound
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • thioether
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine