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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:11 UTC
Update Date2025-03-25 00:45:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151548
Frequency0.5
Structure
Chemical FormulaC26H28Cl2N4O3
Molecular Mass514.1538
SMILESClc1ccc(C2(Cn3ccnc3)OC(COc3ccc(N4CCN(C5CC5)CC4)cc3)O2)c(Cl)c1
InChI KeyPSNHQEUXHCTCIB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aminophenyl ethers
  • aniline and substituted anilines
  • aryl chlorides
  • azacyclic compounds
  • dialkylarylamines
  • dichlorobenzenes
  • dioxetanes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • n-alkylpiperazines
  • n-arylpiperazines
  • n-substituted imidazoles
  • organochlorides
  • organopnictogen compounds
  • oxacyclic compounds
  • phenoxy compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • organochloride
  • alkyl aryl ether
  • organohalogen compound
  • 1,3-dioxetane
  • 1,3-dichlorobenzene
  • imidazole
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • aminophenyl ether
  • tertiary amine
  • azole
  • n-substituted imidazole
  • aryl chloride
  • chlorobenzene
  • azacycle
  • aniline or substituted anilines
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • aryl halide
  • phenylpiperazine
  • oxacycle
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • phenoxy compound
  • amine
  • n-arylpiperazine
  • organooxygen compound