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CHEBI:59035 - 5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide

Default Structure
ChEBI IDCHEBI:59035
ChEBI Name5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide
Stars
ASCII Name5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide
DefinitionA sulfonamide obtained by formal condensation of the sulfo group of 5-(dimethylamino)-naphthalene-1-sulfonic acid with the amino group of 4-nitrosobenzylamine.
Last Modified12 March 2019
Submitterzjosephs
DownloadsMolfile
FormulaC19H19N3O3S
Net Charge0
Average Mass369.446
Monoisotopic Mass369.11471
SMILESCN(C)c1cccc2c(S(=O)(=O)NCc3ccc(N=O)cc3)cccc12
InChIInChI=1S/C19H19N3O3S/c1-22(2)18-7-3-6-17-16(18)5-4-8-19(17)26(24,25)20-13-14-9-11-15(21-23)12-10-14/h3-12,20H,13H2,1-2H3
InChIKeyXKTQDSMBOPQHOR-UHFFFAOYSA-N
Roles Classification
Biological Roles:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
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)
5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide (CHEBI:59035) has role allergen (CHEBI:50904)
5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide (CHEBI:59035) has role hapten (CHEBI:59174)
5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide (CHEBI:59035) is a nitroso compound (CHEBI:35800)
5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide (CHEBI:59035) is a sulfonamide (CHEBI:35358)
IUPAC Name 
5-(dimethylamino)-N-[(4-nitrosophenyl)methyl]naphthalene-1-sulfonamide
Synonyms  Source
5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamideIUPAC
DNS-4NSBAChEBI
DNSBA-NOChEBI
Citations