nitrososulfadiazine (CHEBI:61018)

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ChEBI Name	nitrososulfadiazine

ChEBI ID	CHEBI:61018

Definition	A pyrimidine having a 4-nitrosobenzenesulfonamido group at the 2-position.

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

Supplier Information

Download	Molfile XML SDF

Formula

C10H8N4O3S

Net Charge

Average Mass

264.26100

Monoisotopic Mass

264.03171

InChI

InChI=1S/C10H8N4O3S/c15-13-8-2-4-9(5-3-8)18(16,17)14-10-11-6-1-7-12-10/h1-7H,(H,11,12,14)

InChIKey

LTWHJLLRQPFWSF-UHFFFAOYSA-N

SMILES

O=Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

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. drug metabolite

ChEBI Ontology
Outgoing	nitrososulfadiazine (CHEBI:61018) has functional parent sulfanilamide (CHEBI:45373) nitrososulfadiazine (CHEBI:61018) has role allergen (CHEBI:50904) nitrososulfadiazine (CHEBI:61018) has role drug metabolite (CHEBI:49103) nitrososulfadiazine (CHEBI:61018) is a nitroso compound (CHEBI:35800) nitrososulfadiazine (CHEBI:61018) is a pyrimidines (CHEBI:39447) nitrososulfadiazine (CHEBI:61018) is a sulfonamide (CHEBI:35358)

IUPAC Name

4-nitroso-N-(pyrimidin-2-yl)benzenesulfonamide

Synonym	Source
nitroso sulfadiazine	ChEBI

Registry Number	Type	Source
5960714	Reaxys Registry Number	Reaxys

Citation	Type	Source
20159253	PubMed citation	Europe PMC

Last Modified

12 March 2019