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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:53:06 UTC
Update Date2025-03-21 18:03:42 UTC
HMDB IDHMDB0015189
Metabolite Identification
DeepMet IDDMID00045989
NameTocainide
Frequency73.0
Structure
Chemical FormulaC11H16N2O
Molecular Mass192.1263
SMILESCc1cccc(C)c1NC(=O)C(C)N
InChI KeyBUJAGSGYPOAWEI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alanine and derivatives
  • alpha amino acids
  • anilides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • m-xylenes
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • alpha-amino acid amide
  • m-xylene
  • n-arylamide
  • carboxamide group
  • aromatic homomonocyclic compound
  • xylene
  • anilide
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • alanine or derivatives
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound