Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	42871
Common Name:	Mephenytoin
Systematic Name:	5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione
Synonyms:	[PubChem Synonyms]
Exact Mass:	218.1055 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C12H14N2O2
InChIKey:	GMHKMTDVRCWUDX-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Azolidines [C0002491]
ClassyFire subclass:	Imidazolidines [C0000250]
ClassyFire direct parent:	Phenylhydantoins [C0002282]
MoNA MS spectra:	View MS spectra
SMILES:	CCC1(c2ccccc2)C(=O)N(C)C(=O)N1
Studies:	-

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	4060
CHEBI ID:	166016
HMDB ID:	HMDB0014673
Chemspider ID:	3920
EPA CompTox DB:	DTXCID003257
Plant Metabolite Hub(Pmhub):	MS000027656

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