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CHEBI:9884 - 5-[bis(2-chloroethyl)amino]uracil

ChEBI IDCHEBI:9884
ChEBI Name5-[bis(2-chloroethyl)amino]uracil
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC8H11Cl2N3O2
Net Charge0
Average Mass252.101
Monoisotopic Mass251.02283
SMILESO=c1ncc(N(CCCl)CCCl)c(=O)n1
InChIInChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)
InChIKeyIDPUKCWIGUEADI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
5-[bis(2-chloroethyl)amino]uracil (CHEBI:9884) is a aminouracil (CHEBI:22532)
5-[bis(2-chloroethyl)amino]uracil (CHEBI:9884) is a nitrogen mustard (CHEBI:37598)
IUPAC Name 
5-[bis(2-chloroethyl)amino]pyrimidine-2,4(1H,3H)-dione
Synonyms  Source
Uracil mustardKEGG COMPOUND
5-aminouracil mustardChemIDplus
5-N,N-bis(2-chloroethyl)aminouracilChemIDplus
5-[bis(2-chloroethyl)amino]uracilNIST Chemistry WebBook
5-[bis(2-chloroethyl)amino]-2,4(1H,3H)-pyrimidinedioneNIST Chemistry WebBook
5-[di(β-chloroethyl)amino]uracilNIST Chemistry WebBook
Manual XrefsDatabases
C11686KEGG COMPOUND
UramustineWikipedia
D06265KEGG DRUG
2795DrugCentral
Registry NumbersSources
CAS:66-75-1KEGG COMPOUND
CAS:66-75-1NIST Chemistry WebBook
CAS:66-75-1ChemIDplus