carmustine (CHEBI:3423)

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ChEBI Name	carmustine

ChEBI ID	CHEBI:3423

Definition	A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C5H9Cl2N3O2

Net Charge

Average Mass

214.05000

Monoisotopic Mass

213.00718

InChI

InChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)

InChIKey

DLGOEMSEDOSKAD-UHFFFAOYSA-N

SMILES

ClCCNC(=O)N(CCCl)N=O

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.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	carmustine (CHEBI:3423) has role alkylating agent (CHEBI:22333) carmustine (CHEBI:3423) has role antineoplastic agent (CHEBI:35610) carmustine (CHEBI:3423) is a N-nitrosoureas (CHEBI:76551) carmustine (CHEBI:3423) is a organochlorine compound (CHEBI:36683)

IUPAC Name

1,3-bis(2-chloroethyl)-1-nitrosourea

Synonyms	Sources
BCNU	KEGG COMPOUND
Bicnu (TN)	KEGG DRUG
Bischloroethyl nitrosourea	KEGG COMPOUND
Carmustine	KEGG DRUG
Gliadel	ChemIDplus
N,N'-Bis(2-chloroethyl)-N-nitrosourea	ChemIDplus

Last Modified

22 February 2017