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CHEBI:31913 - Nitrogen mustard N-oxide hydrochloride

ChEBI IDCHEBI:31913
ChEBI NameNitrogen mustard N-oxide hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC5H11Cl2NO.HCl
Net Charge0
Average Mass208.516
Monoisotopic Mass206.99845
SMILESC[N+]([O-])(CCCl)CCCl.Cl
InChIInChI=1S/C5H11Cl2NO.ClH/c1-8(9,4-2-6)5-3-7;/h2-5H2,1H3;1H
InChIKeySYNHCENRCUAUNM-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)
Nitrogen mustard N-oxide hydrochloride (CHEBI:31913) is a nitrogen mustard (CHEBI:37598)
Synonym  Source
Nitrogen mustard N-oxide hydrochlorideKEGG COMPOUND
Manual XrefsDatabases
D01493KEGG DRUG
Registry NumbersSources
CAS:302-70-5KEGG COMPOUND