diaziquone (CHEBI:90185)

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ChEBI Name	diaziquone

ChEBI ID	CHEBI:90185

Definition	A 1,4-benzoquinone that is substituted at positions 2 and 5 have been replaced by aziridin-1-yl groups and at positions 3 and 6 by (ethoxycarbonyl)amino groups.

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

Supplier Information

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Formula

C16H20N4O6

Net Charge

Average Mass

364.354

Monoisotopic Mass

364.13828

InChI

InChI=1S/C16H20N4O6/c1-3-25-15(23)17-9-11(19-5-6-19)14(22)10(18-16(24)26-4-2)12(13(9)21)20-7-8-20/h3-8H2,1-2H3,(H,17,23)(H,18,24)

InChIKey

WVYXNIXAMZOZFK-UHFFFAOYSA-N

SMILES

C1(=C(C(C(=C(C1=O)N2CC2)NC(=O)OCC)=O)N3CC3)NC(=O)OCC

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.

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

ChEBI Ontology
Outgoing	diaziquone (CHEBI:90185) has role alkylating agent (CHEBI:22333) diaziquone (CHEBI:90185) has role antineoplastic agent (CHEBI:35610) diaziquone (CHEBI:90185) is a 1,4-benzoquinones (CHEBI:132124) diaziquone (CHEBI:90185) is a aziridines (CHEBI:22681) diaziquone (CHEBI:90185) is a carbamate ester (CHEBI:23003) diaziquone (CHEBI:90185) is a enamine (CHEBI:47989)

IUPAC Name

diethyl [2,5-bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]biscarbamate

Synonyms	Sources
2,5-diaziridinyl-3,6-bis(carboethoxyamino)-1,4-benzoquinone	ChemIDplus
3,6-bis(carboxyamino)-2,5-diaziridinyl-1,4-benzoquinone	ChemIDplus
3,6-diaziridinyl-2,5-bis(carboethoxyamino)-1,4-benzoquinone	ChemIDplus
3,6-diaziridinyl-2,5-bis(ethoxycarbonylamino)-1,4-benzoquinone	ChEBI
aziridinylbenzoquinone	ChemIDplus
AZQ	ChemIDplus
CI 904	ChemIDplus
CI-904	ChemIDplus
NSC 182968	ChemIDplus

Last Modified

22 February 2017