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CHEBI:53017 - nitrososulfamethoxazole

Default Structure
ChEBI IDCHEBI:53017
ChEBI Namenitrososulfamethoxazole
Stars
DefinitionA sulfonamide compound having a 4-nitrosophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom.
Last Modified11 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC10H9N3O4S
Net Charge0
Average Mass267.266
Monoisotopic Mass267.03138
SMILESCc1cc(NS(=O)(=O)c2ccc(N=O)cc2)no1
InChIInChI=1S/C10H9N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyGHNQGDUYHCZZPT-UHFFFAOYSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
nitrososulfamethoxazole (CHEBI:53017) has functional parent sulfamethoxazole (CHEBI:9332)
nitrososulfamethoxazole (CHEBI:53017) has functional parent sulfanilamide (CHEBI:45373)
nitrososulfamethoxazole (CHEBI:53017) has role allergen (CHEBI:50904)
nitrososulfamethoxazole (CHEBI:53017) has role metabolite (CHEBI:25212)
nitrososulfamethoxazole (CHEBI:53017) is a isoxazoles (CHEBI:55373)
nitrososulfamethoxazole (CHEBI:53017) is a nitroso compound (CHEBI:35800)
nitrososulfamethoxazole (CHEBI:53017) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-(5-methylisoxazol-3-yl)-4-nitrosobenzenesulfonamide
Synonyms  Source
4-NitrososulfamethoxazoleChemIDplus
N-(5-Methyl-3-isoxazolyl)-4-nitrosobenzenesulfonamideChemIDplus
nitroso sulphamethoxazoleChEBI
SMX-NOChEBI
Registry NumbersSources
Reaxys:6338308Reaxys
CAS:131549-85-4ChemIDplus
Citations