Metabolomics Structure Database

 
MW REGNO: 71438
Common Name:MY-5445
Systematic Name:(3-chlorophenyl)-(4-phenylphthalazin-1-yl)amine
Synonyms: [PubChem Synonyms]
Exact Mass:
331.0880 (neutral)    Calculate m/z:
Formula:C20H14ClN3
InChIKey:CEHQLKSLMFIHBF-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Diazines [C0001346]
ClassyFire subclass:Pyridazines and derivatives [C0000074]
ClassyFire direct parent:Phenylpyridazines [C0004147]
SMILES:c1ccc(cc1)c1c2ccccc2c(Nc2cccc(c2)Cl)nn1
Studies:Available studies(via PubChem CID)

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