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CHEBI:3423 - carmustine

Default Structure
ChEBI IDCHEBI:3423
ChEBI Namecarmustine
Stars
DefinitionA 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.
Last Modified22 February 2017
DownloadsMolfile
FormulaC5H9Cl2N3O2
Net Charge0
Average Mass214.052
Monoisotopic Mass213.00718
SMILESO=NN(CCCl)C(=O)NCCCl
InChIInChI=1S/C5H9Cl2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
InChIKeyDLGOEMSEDOSKAD-UHFFFAOYSA-N
Wikipedia
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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
INNs  Source
carmustinaWHO MedNet
carmustineWHO MedNet
carmustineWHO MedNet
carmustinumWHO MedNet
Synonyms  Source
BCNUKEGG COMPOUND
Bicnu (TN)KEGG DRUG
Bischloroethyl nitrosoureaKEGG COMPOUND
CarmustineKEGG DRUG
GliadelChemIDplus
N,N'-Bis(2-chloroethyl)-N-nitrosoureaChemIDplus
Manual XrefsDatabases
512DrugCentral
CarmustineWikipedia
D00254KEGG DRUG
DB00262DrugBank
Registry NumbersSources
CAS:154-93-8KEGG DRUG
CAS:154-93-8ChemIDplus