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CHEBI:116496 - N-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-furancarboxamide

ChEBI IDCHEBI:116496
ChEBI NameN-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-furancarboxamide
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FormulaC17H19Cl2N3O2
Net Charge0
Average Mass368.264
Monoisotopic Mass367.08543
SMILESCc1cc(N(CCCl)CCCl)ccc1C=NNC(=O)c1ccco1
InChIInChI=1S/C17H19Cl2N3O2/c1-13-11-15(22(8-6-18)9-7-19)5-4-14(13)12-20-21-17(23)16-3-2-10-24-16/h2-5,10-12H,6-9H2,1H3,(H,21,23)
InChIKeyYUSOZANRPRLVOT-UHFFFAOYSA-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)
N-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-furancarboxamide (CHEBI:116496) is a nitrogen mustard (CHEBI:37598)
Manual XrefsDatabases
LSM-27951LINCS