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Diazoxon

Diazoxon structure

CAS No:
962-58-3
Formula:
C12H21N2O4P
Chemical Name:
Diazoxon
Synonyms:
Phosphoric acid,diethyl 6-methyl-2-(1-methylethyl)-4-pyrimidinyl ester;Phosphoric acid,diethyl 2-isopropyl-6-methyl-4-pyrimidinyl ester;4-Pyrimidinol,2-isopropyl-6-methyl-,diethyl phosphate;Diazoxon;Diethyl 2-isopropyl-6-methyl-4-pyrimidinyl phosphate;O,O-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphate;Oxodiazinon;O,O-Diethyl-O-(2-isopropyl-4-methylpyrimidyl-6) phosphate;Diazinon oxon
Categories:
Organic Chemistry > Phosphines

Description

ChEBI: An organic phosphate that is diethyl hydrogen phosphate in which the hydrogen of the hydroxy group has been replaced by a 6-methyl-2-(propan-2-yl)pyrimidin-4-yl group.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.

Diazoxon is an organic phosphate that is diethyl hydrogen phosphate in which the hydrogen of the hydroxy group has been replaced by a 6-methyl-2-(propan-2-yl)pyrimidin-4-yl group.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. It has a role as a marine xenobiotic metabolite. It is an organic phosphate and a member of pyrimidines.

Diazoxon Basic Attributes

Molecular Weight：

288.28000

Exact Mass：

288.28

UNII：

9FX08D2L1U

DSSTox ID：

DTXSID5037523

HScode：

2933599090

Characteristics

PSA：

80.35000

XLogP3：

3.46830

Density：

1.141g/cm3

Boiling Point：

335.8ºC at 760mmHg

Flash Point：

156.9ºC

Refractive Index：

1.484

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 3018

Toxicity

Bioconcentration：

0.45

Drug Information

Metabolism/Metabolites：

Diazoxon has known human metabolites that include Diethyl phosphorothioate and Pyrimidinol.

MeSH Entry Terms：

diazinon-oxon

Diazoxon Use and Manufacturing

Use Classification：

Pesticides -> Insecticides -> Organophosphorus insecticides -> Organothiophosphate insecticides -> Heterocyclic organothiophosphate insecticides -> Transformation products

Agrochemical：

Diazoxon has known environmental transformation products that include Pyrimidinol.

Computed Properties

Molecular Weight:288.28
XLogP3:2.1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:288.12389415
Monoisotopic Mass:288.12389415
Topological Polar Surface Area:70.5
Heavy Atom Count:19
Complexity:304
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes