CHEBI:28925 - mechlorethamine

ChEBI IDCHEBI:28925
ChEBI Namemechlorethamine
Stars
Secondary ChEBI IDsCHEBI:6708, CHEBI:25557
Last Modified22 February 2017
DownloadsMolfile
FormulaC5H11Cl2N
Net Charge0
Average Mass156.056
Monoisotopic Mass155.02685
SMILESCN(CCCl)CCCl
InChIInChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3
InChIKeyHAWPXGHAZFHHAD-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
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.
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)
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 Relation(s)
mechlorethamine hydrochloride (CHEBI:55368) has part mechlorethamine (CHEBI:28925)
IUPAC Name 
2-chloro-N-(2-chloroethyl)-N-methylethanamine
Synonyms  Source
MechlorethamineKEGG COMPOUND
bis(2-chloroethyl)methylamineNIST Chemistry WebBook
chlormethineChemIDplus
β,β'-dichlorodiethyl-N-methylamineNIST Chemistry WebBook
bis(β-chloroethyl)methylamineNIST Chemistry WebBook
nitrogen mustardChemIDplus
Manual XrefsDatabases
C07115KEGG COMPOUND
MechlorethamineWikipedia
DB00888DrugBank
D07671KEGG DRUG
1647DrugCentral
Registry NumbersSources
CAS:51-75-2KEGG COMPOUND
CAS:51-75-2NIST Chemistry WebBook
CAS:51-75-2ChemIDplus