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CHEBI:90193 - 2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone

ChEBI IDCHEBI:90193
ChEBI Name2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone
Stars
DefinitionA member of the class of 1,4-benzoquinones that is 1,4-benzoquinone in which the hydrogens at positions 2 and 5 have been replaced by aziridin-1-yl groups while the hydrogens at positions 3 and 6 have been replaced by (2-hydroxyethyl)amino groups.
Last Modified3 June 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H20N4O4
Net Charge0
Average Mass308.338
Monoisotopic Mass308.14846
SMILESO=C1C(NCCO)=C(N2CC2)C(=O)C(NCCO)=C1N1CC1
InChIInChI=1S/C14H20N4O4/c19-7-1-15-9-11(17-3-4-17)14(22)10(16-2-8-20)12(13(9)21)18-5-6-18/h15-16,19-20H,1-8H2
InChIKeyMXNZCIQNSJMZST-UHFFFAOYSA-N
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) has role alkylating agent (CHEBI:22333)
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) has role antineoplastic agent (CHEBI:35610)
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) is a 1,4-benzoquinones (CHEBI:132124)
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) is a aziridines (CHEBI:22681)
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) is a enamine (CHEBI:47989)
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) is a primary alcohol (CHEBI:15734)
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinylbenzoquinone (CHEBI:90193) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
2,5-bis(aziridin-1-yl)-3,6-bis[(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione
Synonyms  Source
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinyl-1,4-benzoquinoneChEBI
NSC 224070ChemIDplus
2,5-bis(2-hydroxyethylamino)-3,6-diaziridinyl-p-benzoquinoneChEBI
3,6-bis((2-hydroxyethyl)amino)-2,5-diaziridinyl-1,4-benzoquinoneChemIDplus
BZQChEBI
2,5-diaziridinyl-3,6-bis(2-hydroxyethylamino)-1,4-benzoquinoneChemIDplus
Registry NumbersSources
Reaxys:6153805Reaxys
CAS:59886-54-3ChemIDplus
Citations