RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0029759
RefMet name	Methazolamide
Systematic name	N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)acetamide
Synonyms	PubChem Synonyms
Exact mass	236.003782 (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	C5H8N4O3S2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	67471 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-
InChIKey	FLOSMHQXBMRNHR-DAXSKMNVSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(=O)/N=c\1/n(C)nc(s1)S(=O)(=O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organoheterocyclic compounds
Main Class	Thiadiazoles
Sub Class	Thiadiazoles
Distribution of Methazolamide 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 Methazolamide
External Links
Pubchem CID	4100
ChEBI ID	6822
KEGG ID	C07764
HMDB ID	HMDB0014841
EPA CompTox	DTXCID503281
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)