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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:58 UTC
Update Date2025-03-25 00:58:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02233199
Frequency0.5
Structure
Chemical FormulaC32H54BrN3
Molecular Mass559.3501
SMILESCCCCCCCCCCCCCCCCCCn1cncc1C(CCN(C)C)c1ccc(Br)cc1
InChI KeyWYEYNOSKHZOZOJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent bromobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl bromides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-substituted imidazoles
  • organobromides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • bromobenzene
  • organohalogen compound
  • aryl halide
  • imidazole
  • organonitrogen compound
  • organobromide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • aryl bromide
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole