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CHEBI:34193 - 2-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}diazenyl)benzoic acid
| Formula | C18H19Cl2N3O2 |
| Net Charge | 0 |
| Average Mass | 380.275 |
| Monoisotopic Mass | 379.08543 |
| SMILES | Cc1cc(N(CCCl)CCCl)ccc1/N=N/c1ccccc1C(=O)O |
| 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 |
| Roles Classification |
|---|
| Biological Role: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| 2'-Carboxy-4-[bis(2-chloroethyl)amino]-2-methylazobenzene | KEGG COMPOUND |
| Azo-mustard | KEGG COMPOUND |
| CB 1414 | KEGG COMPOUND |
| 4-(N,N-di-2''-chloroethylamino)-2-methyl-2'-carboxyazobenzene | ChemIDplus |
| 2'-carboxy-2-methylphenylazo nitrogen mustard | ChemIDplus |
| 4'-(di-2''-chloroethylamino)-2'-methylazobenzene-2-carboxylic acid | ChemIDplus |