Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:46:09 UTC
Update Date2025-03-21 18:00:48 UTC
HMDB IDHMDB0061002
Metabolite Identification
DeepMet IDDMID00029343
Namenorsertraline
Frequency127.4
Structure
Chemical FormulaC16H15Cl2N
Molecular Mass291.0582
SMILESNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChI KeySRPXSILJHWNFMK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • aryl chlorides
  • dichlorobenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • organochlorides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aryl chloride
  • chlorobenzene
  • tetralin
  • monocyclic benzene moiety
  • organochloride
  • aromatic homopolycyclic compound
  • organohalogen compound
  • aryl halide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 1,2-dichlorobenzene
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene