4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid (CHEBI:87104)

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CHEBI:87104 - 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid

ChEBI ID	CHEBI:87104
ChEBI Name	4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
Stars
Definition	A naphthalenesulfonic acid that is naphthalene-2,7-disulfonic acid carrying additional hydroxy and (2,4-dimethylphenyl)diazenyl substituents at positions 3 and 4 respectively. The disodium salt is the biological stain 'acid red 26'.
Last Modified	23 July 2015
Submitter	Steve
Downloads	Molfile

Formula	C18H16N2O7S2
Net Charge	0
Average Mass	436.467
Monoisotopic Mass	436.03989
SMILES	Cc1ccc(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c(C)c1
InChI	InChI=1S/C18H16N2O7S2/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)
InChIKey	YYYARFHFWYKNLF-UHFFFAOYSA-N

Roles Classification

Biological Roles:

carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.

cardiotoxic agent A role played by a chemical compound exhibiting itself through the ability to induce damage to the heart and cardiomyocytes.

ChEBI Ontology

Outgoing Relation(s)
	4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid (CHEBI:87104) has role carcinogenic agent (CHEBI:50903)
	4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid (CHEBI:87104) has role cardiotoxic agent (CHEBI:50912)
	4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid (CHEBI:87104) is a azobenzenes (CHEBI:22682)
	4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid (CHEBI:87104) is a naphthalenesulfonic acid (CHEBI:36336)
	4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid (CHEBI:87104) is a naphthols (CHEBI:25392)
	4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid (CHEBI:87104) is conjugate acid of 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate (CHEBI:87105)
Incoming Relation(s)
Incoming Relation(s)	4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate (CHEBI:87105) is conjugate base of 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid (CHEBI:87104)

IUPAC Name
4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid

Synonyms	Source
acid red 26 (free acid form)	ChEBI
1-(2,4-Xylylazo)-2-naphthol-3,6-disulfonic acid	ChemIDplus
Ponceau MX	ChemIDplus

Registry Numbers	Sources
Reaxys:728148	Reaxys
CAS:7481-49-4	ChemIDplus

Citations