RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0200180
RefMet name	Oxfendazole
Systematic name	methyl N-[5-(benzenesulfinyl)-1H-1,3-benzodiazol-2-yl]carbamate
Synonyms	PubChem Synonyms
Exact mass	315.067762 (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	C15H13N3O3S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	45123 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	BEZZFPOZAYTVHN-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	COC(=O)Nc1[nH]c2ccc(cc2n1)S(=O)c1ccccc1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Benzimidazoles
Sub Class	Benzimidazoles
Distribution of Oxfendazole 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 Oxfendazole
External Links
Pubchem CID	40854
ChEBI ID	35812
HMDB ID	HMDB0031812
Chemspider ID	37316
EPA CompTox	DTXCID7024112
Spectral data for Oxfendazole standards
MassBank(EU)	View MS spectra