RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200241
RefMet name	Primidone
Systematic name	5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
Synonyms	PubChem Synonyms
Exact mass	218.105528 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C12H14N2O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	43086 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	DQMZLTXERSFNPB-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCC1(c2ccccc2)C(=O)NCNC1=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Diazinanes
Sub Class	Diazinanes
Distribution of Primidone in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Primidone
External Links
Pubchem CID	4909
ChEBI ID	8412
KEGG ID	C07371
HMDB ID	HMDB0014932
Chemspider ID	4740
EPA CompTox	DTXCID603510
Spectral data for Primidone standards
MassBank(EU)	View MS spectra