Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43575
Common Name:	Sulfamerazine
Systematic Name:	4-amino-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide
RefMet Name:	Sulfamerazine
Synonyms:	[PubChem Synonyms]
Exact Mass:	264.0681 (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:	C11H12N4O2S
InChIKey:	QPPBRPIAZZHUNT-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Benzenesulfonamides [C0000031]
ClassyFire direct parent:	Aminobenzenesulfonamides [C0001925]
MoNA MS spectra:	View MS spectra
SMILES:	Cc1ccnc(n1)NS(=O)(=O)c1ccc(cc1)N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5325
CHEBI ID:	102130
HMDB ID:	HMDB0015521
Chemspider ID:	5134
EPA CompTox DB:	DTXCID603612
Plant Metabolite Hub(Pmhub):	MS000001644

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