2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid (CHEBI:34193)

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ChEBI Name	2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid

ChEBI ID	CHEBI:34193

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

Supplier Information

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Formula

C18H19Cl2N3O2

Net Charge

Average Mass

380.26788

Monoisotopic Mass

379.08543

InChI

InChI=1S/C18H19Cl2N3O2/c1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25/h2-7,12H,8-11H2,1H3,(H,24,25)/b22-21+

InChIKey

JRQFCUCILBFUNR-QURGRASLSA-N

SMILES

Cc1cc(ccc1\N=N\c1ccccc1C(O)=O)N(CCCl)CCCl

Roles Classification
Biological Role(s):	alkylating agent Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases. (via nitrogen mustard )

ChEBI Ontology
Outgoing	2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid (CHEBI:34193) is a nitrogen mustard (CHEBI:37598)

IUPAC Name

2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid

Synonyms	Sources
2'-carboxy-2-methylphenylazo nitrogen mustard	ChemIDplus
2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene	KEGG COMPOUND
2-(4-bis(2-chloroethyl)amino-2-methyl)phenylazobenzoic acid	ChemIDplus
4'-(di-2''-chloroethylamino)-2'-methylazobenzene-2-carboxylic acid	ChemIDplus
4-(N,N-di-2''-chloroethylamino)-2-methyl-2'-carboxyazobenzene	ChemIDplus
Azo-mustard	KEGG COMPOUND
CB 1414	KEGG COMPOUND

Registry Number	Type	Source
4213-40-5	CAS Registry Number	ChemIDplus

Last Modified

31 January 2007