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

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ChEBI Name	5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide

ChEBI ID	CHEBI:59035

ChEBI ASCII Name	5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide

Definition	A sulfonamide obtained by formal condensation of the sulfo group of 5-(dimethylamino)-naphthalene-1-sulfonic acid with the amino group of 4-nitrosobenzylamine.

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

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Formula

C19H19N3O3S

Net Charge

Average Mass

369.439

Monoisotopic Mass

369.11471

InChI

InChI=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

InChIKey

XKTQDSMBOPQHOR-UHFFFAOYSA-N

SMILES

C=1C(=CC=C(C1)N=O)CNS(C2=CC=CC3=C2C=CC=C3N(C)C)(=O)=O

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. 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.

ChEBI Ontology
Outgoing	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	Sources
5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide	IUPAC
DNS-4NSBA	ChEBI
DNSBA-NO	ChEBI

Last Modified

12 March 2019