RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0199188
RefMet name	Niclosamide
Systematic name	5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
Synonyms	PubChem Synonyms
Exact mass	325.986112 (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	C13H8Cl2N2O4	View other entries in RefMet with this formula
Molecular descriptors
Molfile	43707 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	RJMUSRYZPJIFPJ-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cc(c(cc1Cl)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Benzenoids
Main Class	Anilides
Sub Class	Anilides
Distribution of Niclosamide 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 Niclosamide
External Links
Pubchem CID	4477
ChEBI ID	7553
HMDB ID	HMDB0015679
Chemspider ID	4322
EPA CompTox	DTXCID5020362
Spectral data for Niclosamide standards
MassBank(EU)	View MS spectra