CHEBI:27090 - triaziquone

ChEBI IDCHEBI:27090
ChEBI Nametriaziquone
Stars
DefinitionA member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which three of the ring hydrogens are replaced by aziridin-1-yl groups.
Last Modified22 February 2017
DownloadsMolfile
FormulaC12H13N3O2
Net Charge0
Average Mass231.255
Monoisotopic Mass231.10078
SMILESO=C1C=C(N2CC2)C(=O)C(N2CC2)=C1N1CC1
InChIInChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2
InChIKeyPXSOHRWMIRDKMP-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)
triaziquone (CHEBI:27090) has role alkylating agent (CHEBI:22333)
triaziquone (CHEBI:27090) has role antineoplastic agent (CHEBI:35610)
triaziquone (CHEBI:27090) is a 1,4-benzoquinones (CHEBI:132124)
triaziquone (CHEBI:27090) is a aziridines (CHEBI:22681)
IUPAC Name 
2,3,5-tris(aziridin-1-yl)-1,4-benzoquinone
INNs  Source
triazicuonaChemIDplus
triaziquoneKEGG DRUG
triaziquoneWHO MedNet
TriaziquonumChemIDplus
Synonyms  Source
1,1',1''-(3,6-Dioxo-1,4-cyclohexadiene-1,2,4-triyl)trisaziridineChemIDplus
2,3,5-Ethylenimine-1,4-benzoquinoneNIST Chemistry WebBook
2,3,5-Tri(1-aziridinyl)-p-benzoquinoneNIST Chemistry WebBook
2,3,5-Tri-(1-aziridinyl)-p-benzoquinoneChemIDplus
2,3,5-Triethyleneimino-1,4-benzoquinoneChemIDplus
2,3,5-Tris(1-aziridino)-p-benzoquinoneChemIDplus
Manual XrefsDatabases
4372DrugCentral
C19542KEGG COMPOUND
D07254KEGG DRUG
TriaziquoneWikipedia
Registry NumbersSources
Reaxys:238057Reaxys
CAS:68-76-8NIST Chemistry WebBook
CAS:68-76-8ChemIDplus
CAS:68-76-8KEGG COMPOUND
Citations