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CHEBI:61018 - nitrososulfadiazine

ChEBI IDCHEBI:61018
ChEBI Namenitrososulfadiazine
Stars
DefinitionA pyrimidine having a 4-nitrosobenzenesulfonamido group at the 2-position.
Last Modified12 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC10H8N4O3S
Net Charge0
Average Mass264.266
Monoisotopic Mass264.03171
SMILESO=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=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)
InChIKeyLTWHJLLRQPFWSF-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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)
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 sulfadiazineChEBI
Registry NumbersSources
Reaxys:5960714Reaxys
Citations