Metabolomics Structure Database

 
MW REGNO: 67596
Common Name:Methaphenilene
Systematic Name:N,N-dimethyl-N'-phenyl-N'-(2-thienylmethyl)ethane-1,2-diamine
RefMet Name:Methaphenilene
Synonyms:Diatrin; Diatrin Base; Metafenilene [DCIT]; W 50 Base; Methaphenilene [INN:BAN] [PubChem Synonyms]
Exact Mass:
260.1347 (neutral)    Calculate m/z:
Formula:C15H20N2S
InChIKey:LDYJXVUOVPVZKA-UHFFFAOYSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Amines [C0002449]
ClassyFire direct parent:Dialkylarylamines [C0003901]
SMILES:CN(C)CCN(Cc1cccs1)c1ccccc1
Studies:Available studies (via RefMet name)

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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

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