Nitrogen mustard N-oxide (CHEBI:82354)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:82354 - Nitrogen mustard N-oxide

ChEBI ID	CHEBI:82354
ChEBI Name	Nitrogen mustard N-oxide
Stars
Downloads	Molfile

Formula	C5H11Cl2NO
Net Charge	0
Average Mass	172.055
Monoisotopic Mass	171.02177
SMILES	CN(=O)(CCCl)CCCl
InChI	InChI=1S/C5H11Cl2NO/c1-8(9,4-2-6)5-3-7/h2-5H2,1H3
InChIKey	AFLXUQUGROGEFA-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 (CHEBI:82354) is a nitrogen mustard (CHEBI:37598)

Manual Xrefs	Databases
C19274	KEGG COMPOUND

Registry Numbers	Sources
CAS:126-85-2	KEGG COMPOUND