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CHEBI:55368 - mechlorethamine hydrochloride

ChEBI IDCHEBI:55368
ChEBI Namemechlorethamine hydrochloride
Stars
DefinitionThe hydrochloride salt of mechlorethamine.
Last Modified18 August 2014
Submitterzjosephs
DownloadsMolfile
FormulaC5H11Cl2N.HCl
Net Charge0
Average Mass192.517
Monoisotopic Mass191.00353
SMILESCN(CCCl)CCCl.Cl
InChIInChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H
InChIKeyQZIQJVCYUQZDIR-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
mechlorethamine hydrochloride (CHEBI:55368) has part mechlorethamine (CHEBI:28925)
mechlorethamine hydrochloride (CHEBI:55368) has role antineoplastic agent (CHEBI:35610)
mechlorethamine hydrochloride (CHEBI:55368) is a hydrochloride (CHEBI:36807)
IUPAC Name 
2-chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride
Synonyms  Source
1,5-Dichloro-3-methyl-3-azapentane hydrochlorideChemIDplus
2,2'-Dichloro-N-methyldiethylamine hydrochlorideChemIDplus
2-chloro-N-(2-chloroethyl)-N-methylethanamine hydrochlorideChemIDplus
Bis(2-chloroethyl)methylamine hydrochlorideChemIDplus
ChloraminChemIDplus
ChlorethamineChemIDplus
Manual XrefsDatabases
DB00888DrugBank
D04872KEGG DRUG
Registry NumbersSources
Reaxys:3670938Reaxys
CAS:55-86-7ChemIDplus
Citations