Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:05 UTC
Update Date2025-03-25 00:49:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171791
Frequency0.5
Structure
Chemical FormulaC19H21Cl2N
Molecular Mass333.1051
SMILESCN(C)CCC1c2ccc(Cl)cc2CCc2ccc(Cl)cc21
InChI KeyMJPXJVNFTSIOBD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classdibenzocycloheptenes
Subclass dibenzocycloheptenes
Direct Parent dibenzocycloheptenes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl chlorides
  • hydrocarbon derivatives
  • organochlorides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aryl chloride
  • organochloride
  • tertiary aliphatic amine
  • aromatic homopolycyclic compound
  • organohalogen compound
  • dibenzocycloheptene
  • aryl halide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine