Metabolomics Structure Database

 
MW REGNO: 67470
Common Name:Meclofenoxate
Systematic Name:2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate
Synonyms:Clophenoxate; Clofenoxin; Proseryl; Deanolestere; Meclophenoxate [PubChem Synonyms]
Exact Mass:
257.0819 (neutral)    Calculate m/z:
Formula:C12H16ClNO3
InChIKey:XZTYGFHCIAKPGJ-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Phenoxyacetic acid derivatives [C0000417]
ClassyFire direct parent:Phenoxyacetic acid derivatives [C0000417]
Massbank MS spectra:View MS spectra
SMILES:CN(C)CCOC(=O)COc1ccc(cc1)Cl
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:4039
HMDB ID:HMDB0254396
KEGG ID:C08195
EPA CompTox DB:DTXCID7026940
Plant Metabolite Hub(Pmhub):MS000019762

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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