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CHEBI:83533 - diazoxon

ChEBI IDCHEBI:83533
ChEBI Namediazoxon
Stars
DefinitionAn organic phosphate that is diethyl hydrogen phosphate in which the hydrogen of the hydroxy group has been replaced by a 6-methyl-2-(propan-2-yl)pyrimidin-4-yl group. It is a metabolite of the pesticide diazinon.
Last Modified19 November 2014
DownloadsMolfile
FormulaC12H21N2O4P
Net Charge0
Average Mass288.284
Monoisotopic Mass288.12389
SMILESCCOP(=O)(OCC)Oc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C12H21N2O4P/c1-6-16-19(15,17-7-2)18-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyVBLJFQYCTRKKKF-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
diazoxon (CHEBI:83533) has role marine xenobiotic metabolite (CHEBI:83399)
diazoxon (CHEBI:83533) is a organic phosphate (CHEBI:25703)
diazoxon (CHEBI:83533) is a pyrimidines (CHEBI:39447)
IUPAC Name 
diethyl 6-methyl-2-(propan-2-yl)pyrimidin-4-yl phosphate
Synonyms  Source
diethyl 2-isopropyl-6-methylpyrimidin-4-ylphosphateChEBI
OxodiazinonNIST Chemistry WebBook
Registry NumbersSources
Reaxys:273789Reaxys
CAS:962-58-3ChemIDplus
CAS:962-58-3NIST Chemistry WebBook
Citations