mechlorethamine (CHEBI:28925)

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ChEBI Name	mechlorethamine

ChEBI ID	CHEBI:28925

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

Secondary ChEBI IDs	CHEBI:6708, CHEBI:25557

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Formula

C5H11Cl2N

Net Charge

Average Mass

156.05298

Monoisotopic Mass

155.02685

InChI

InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3

InChIKey

HAWPXGHAZFHHAD-UHFFFAOYSA-N

SMILES

CN(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	mechlorethamine (CHEBI:28925) has role alkylating agent (CHEBI:22333) mechlorethamine (CHEBI:28925) is a nitrogen mustard (CHEBI:37598) mechlorethamine (CHEBI:28925) is a organochlorine compound (CHEBI:36683)

Incoming	mechlorethamine hydrochloride (CHEBI:55368) has part mechlorethamine (CHEBI:28925)

IUPAC Name

2-chloro-N-(2-chloroethyl)-N-methylethanamine

Synonyms	Sources
2,2'-dichloro-N-methyldiethylamine	ChemIDplus
β,β'-dichlorodiethyl-N-methylamine	NIST Chemistry WebBook
bis(2-chloroethyl)methylamine	NIST Chemistry WebBook
bis(β-chloroethyl)methylamine	NIST Chemistry WebBook
chlormethine	ChemIDplus
Chlormethine	KEGG COMPOUND
Mechlorethamine	KEGG COMPOUND
Mechlorethamine	KEGG COMPOUND
methylbis(2-chloroethyl)amine	ChemIDplus
methylbis(β-chloroethyl)amine	NIST Chemistry WebBook
N-methyl-bis(2-chloroethyl)amine	ChemIDplus
N-methyl-bis(β-chloroethyl)amine	NIST Chemistry WebBook
nitrogen mustard	ChemIDplus

Last Modified

22 February 2017