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CHEBI:53016 - sulfamethoxazole hydroxylamine

Default Structure
ChEBI IDCHEBI:53016
ChEBI Namesulfamethoxazole hydroxylamine
Stars
DefinitionA sulfonamide compound having a 4-hydroxylaminophenyl 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
FormulaC10H11N3O4S
Net Charge0
Average Mass269.282
Monoisotopic Mass269.04703
SMILESCc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1
InChIInChI=1S/C10H11N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6,11,14H,1H3,(H,12,13)
InChIKeyMJAMPGKHIZXVFJ-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)
sulfamethoxazole hydroxylamine (CHEBI:53016) has functional parent sulfamethoxazole (CHEBI:9332)
sulfamethoxazole hydroxylamine (CHEBI:53016) has functional parent sulfanilamide (CHEBI:45373)
sulfamethoxazole hydroxylamine (CHEBI:53016) has role allergen (CHEBI:50904)
sulfamethoxazole hydroxylamine (CHEBI:53016) has role metabolite (CHEBI:25212)
sulfamethoxazole hydroxylamine (CHEBI:53016) is a isoxazoles (CHEBI:55373)
sulfamethoxazole hydroxylamine (CHEBI:53016) is a sulfonamide (CHEBI:35358)
IUPAC Name 
4-(hydroxyamino)-N-(5-methylisoxazol-3-yl)benzenesulfonamide
Synonyms  Source
4-(Hydroxyamino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamideChemIDplus
Smx-HAChemIDplus
SMX-NHOHChEBI
Sulfamethoxazole hydroxylamineChemIDplus
Registry NumbersSources
Reaxys:6336217Reaxys
CAS:114438-33-4ChemIDplus
Citations