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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:15 UTC
Update Date2025-03-21 18:35:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103595
Frequency26.2
Structure
Chemical FormulaC21H31N3O3S
Molecular Mass405.2086
SMILESCNC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1
InChI KeyNSRJCIOCDHQOLT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aminosulfonyl compounds
  • amphetamines and derivatives
  • benzenesulfonamides
  • benzenesulfonyl compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonamides
  • primary amines
  • secondary alcohols
    • Substituents
  • organosulfonic acid or derivatives
  • organosulfur compound
  • organosulfonic acid amide
  • organic oxide
  • phenylbutylamine
  • organonitrogen compound
  • organopnictogen compound
  • amphetamine or derivatives
  • benzenesulfonyl group
  • alcohol
  • secondary aliphatic amine
  • benzenesulfonamide
  • aminosulfonyl compound
  • secondary amine
  • aromatic homomonocyclic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound