Metabolomics Structure Database

 
MW REGNO: 43047
Common Name:Modafinil
Systematic Name:2-(diphenylmethane)sulfinylacetamide
Synonyms: [PubChem Synonyms]
Exact Mass:
273.0823 (neutral)    Calculate m/z:
Formula:C15H15NO2S
InChIKey:YFGHCGITMMYXAQ-UHFFFAOYSA-N
ClassyFire superclass:Benzenoids [C0002448]
ClassyFire class:Benzene and substituted derivatives [C0002279]
ClassyFire subclass:Diphenylmethanes [C0000369]
ClassyFire direct parent:Diphenylmethanes [C0000369]
MoNA MS spectra:View MS spectra
SMILES:c1ccc(cc1)C(c1ccccc1)S(=O)CC(=O)N
Studies:-

Select appropriate tab below to view additional details:

External database links:

PubChem CID:4236
CHEBI ID:417124
HMDB ID:HMDB0014883
Chemspider ID:4088
EPA CompTox DB:DTXCID103329
Plant Metabolite Hub(Pmhub):MS000004644

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