nitrososulfamethoxazole (CHEBI:53017)

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ChEBI Name	nitrososulfamethoxazole

ChEBI ID	CHEBI:53017

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C10H9N3O4S

Net Charge

Average Mass

267.26100

Monoisotopic Mass

267.03138

InChI

InChI=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)

InChIKey

GHNQGDUYHCZZPT-UHFFFAOYSA-N

SMILES

Cc1cc(NS(=O)(=O)c2ccc(cc2)N=O)no1

Roles Classification
Biological Role(s):	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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	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	Sources
4-Nitrososulfamethoxazole	ChemIDplus
N-(5-Methyl-3-isoxazolyl)-4-nitrosobenzenesulfonamide	ChemIDplus
nitroso sulphamethoxazole	ChEBI
SMX-NO	ChEBI

Last Modified

11 March 2019