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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:24 UTC
Update Date2025-03-21 18:37:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00113745
Frequency23.3
Structure
Chemical FormulaC22H23BrN2
Molecular Mass394.1045
SMILESCN(C)CCC(c1ccccc1)(c1ccc(Br)cc1)c1ccccn1
InChI KeyMMKBPGMCNMKTMQ-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
  • aryl bromides
  • azacyclic compounds
  • bromobenzenes
  • diphenylmethanes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organobromides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • diphenylmethane
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • pheniramine
  • organohalogen compound
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • tertiary amine
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • bromobenzene
  • methylpyridine
  • aryl halide
  • organobromide
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • aryl bromide
  • amine