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

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ChEBI Name	5-[bis(2-chloroethyl)amino]uracil

ChEBI ID	CHEBI:9884

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

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Formula

C8H11Cl2N3O2

Net Charge

Average Mass

252.09736

Monoisotopic Mass

251.02283

InChI

InChI=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)

InChIKey

IDPUKCWIGUEADI-UHFFFAOYSA-N

SMILES

ClCCN(CCCl)c1c[nH]c(=O)[nH]c1=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

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 )

ChEBI Ontology
Outgoing	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	Sources
5-(di-2-chloroethyl)aminouracil	ChemIDplus
5-[bis(2-chloroethyl)amino]-2,4(1H,3H)-pyrimidinedione	NIST Chemistry WebBook
5-[bis(2-chloroethyl)amino]uracil	NIST Chemistry WebBook
5-[di(β-chloroethyl)amino]uracil	NIST Chemistry WebBook
5-aminouracil mustard	ChemIDplus
5-N,N-bis(2-chloroethyl)aminouracil	ChemIDplus
aminouracil mustard	ChemIDplus
Uracil mustard	KEGG COMPOUND
uracil nitrogen mustard	ChemIDplus

Last Modified

22 February 2017