CHEBI:31913 - Nitrogen mustard N-oxide hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nitrogen mustard N-oxide hydrochloride
ChEBI ID CHEBI:31913
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C5H11Cl2NO.HCl
C5H12Cl3NO
Net Charge 0
Average Mass 208.514
Monoisotopic Mass 206.99845
InChI InChI=1S/C5H11Cl2NO.ClH/c1-8(9,4-2-6)5-3-7;/h2-5H2,1H3;1H
InChIKey SYNHCENRCUAUNM-UHFFFAOYSA-N
SMILES C(C[N+](CCCl)([O-])C)Cl.Cl
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Nitrogen mustard N-oxide hydrochloride (CHEBI:31913) is a nitrogen mustard (CHEBI:37598)
Synonym Source
Nitrogen mustard N-oxide hydrochloride KEGG COMPOUND
Manual Xref Database
D01493 KEGG DRUG
View more database links
Registry Number Type Source
302-70-5 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017