CHEBI:33111 - apholate

ChEBI IDCHEBI:33111
ChEBI Nameapholate
Stars
DefinitionA member of the class of aziridines that is 1,3,5,2,4,6-triazatriphosphinine substituted by aziridin-1-yl groups at positions 2,2,4,4,6, and 6. It is an insect sterilant.
Last Modified12 March 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H24N9P3
Net Charge0
Average Mass387.309
Monoisotopic Mass387.13675
SMILESC1CN1P1(N2CC2)=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1
InChIInChI=1S/C12H24N9P3/c1-2-16(1)22(17-3-4-17)13-23(18-5-6-18,19-7-8-19)15-24(14-22,20-9-10-20)21-11-12-21/h1-12H2
InChIKeyPXZAWHSJYIECNQ-UHFFFAOYSA-N
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:
insect sterilant  A chemosterilant intended to sterilize insects.
ChEBI Ontology
Outgoing Relation(s)
apholate (CHEBI:33111) has functional parent 1,3,5,2,4,6-triazatriphosphinine (CHEBI:167642)
apholate (CHEBI:33111) has role alkylating agent (CHEBI:22333)
apholate (CHEBI:33111) has role insect sterilant (CHEBI:67105)
apholate (CHEBI:33111) is a aziridines (CHEBI:22681)
apholate (CHEBI:33111) is a ring assembly (CHEBI:36820)
IUPAC Name 
2,2,4,4,6,6-hexakis(aziridin-1-yl)-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinine
Synonyms  Source
1-aziridinylphosphonitrile trimerChemIDplus
2,2,4,4,6,6-hexakis(1-aziridinyl)-2,2,4,4,6,6-hexahydro-1,3,5,2,4,6-triazatriphosphorineChemIDplus
2,2-bis(aziridin-1-yl)-6,6-bis(aziridin-1-yl)-4,4-bis(aziridin-1-yl)-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinineIUPAC
ApholateChemIDplus
hexakis-(1-aziridinyl)phosphonitrileChemIDplus
Manual XrefsDatabases
5637ChemSpider
apholateAlan Wood's Pesticides
C19329KEGG COMPOUND
Registry NumbersSources
Beilstein:1334691Beilstein
Gmelin:610350Gmelin
CAS:52-46-0KEGG COMPOUND
CAS:52-46-0ChemIDplus
Citations