Hmdb loader

Showing information for DMID00136153

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:55 UTC
Update Date2025-03-21 18:41:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136153
Frequency18.4
Structure
Chemical FormulaC19H19ClN2
Molecular Mass310.1237
SMILESCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)C1
InChI KeyRTLQHIKQZMIMSZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzocycloheptapyridines
Subclass benzocycloheptapyridines
Direct Parent benzocycloheptapyridines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • aryl chlorides
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-alkylpyrrolidines
  • organochlorides
  • organopnictogen compounds
  • polyhalopyridines
  • trialkylamines
    • Substituents
  • aryl chloride
  • azacycle
  • n-alkylpyrrolidine
  • polyhalopyridine
  • organochloride
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • organohalogen compound
  • aryl halide
  • pyridine
  • aromatic heteropolycyclic compound
  • benzocycloheptapyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • organic nitrogen compound
  • pyrrolidine
  • amine
  • tertiary amine