Metabolomics Structure Database

 
MW REGNO: 42974
Common Name:Trazodone
Systematic Name:2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
RefMet Name:Trazodone
Synonyms: [PubChem Synonyms]
Exact Mass:
371.1513 (neutral)    Calculate m/z:
Formula:C19H22ClN5O
InChIKey:PHLBKPHSAVXXEF-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Diazinanes [C0002389]
ClassyFire subclass:Piperazines [C0000189]
ClassyFire direct parent:Phenylpiperazines [C0001984]
Massbank MS spectra:View MS spectra
SMILES:O=C1N2C=CC=CC2=NN1CCCN1CCN(CC1)c1cc(Cl)ccc1
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo