CHEBI:28925 - mechlorethamine

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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 0
Average Mass 156.05298
Monoisotopic Mass 155.027
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 )
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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
Database Links Databases
1647 DrugCentral
C07115 KEGG COMPOUND
D07671 KEGG DRUG
DB00888 DrugBank
Mechlorethamine Wikipedia
View more database links
Registry Numbers Types Sources
51-75-2 CAS Registry Number KEGG COMPOUND
51-75-2 CAS Registry Number NIST Chemistry WebBook
51-75-2 CAS Registry Number ChemIDplus
Last Modified
22 February 2017