SODIUM DIMETHYL PHOSPHATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C2H6O4P.Na
Molecular Weight	148.0302
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].COP([O-])(=O)OC

InChI

InChIKey=LMGRDVWNCARTPS-UHFFFAOYSA-M

InChI=1S/C2H7O4P.Na/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C2H6O4P
Molecular Weight	125.0404
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/12952468 | DOI: 10.1002/anie.199700981 | http://www.google.si/patents/US5250665https://www.ncbi.nlm.nih.gov/pubmed/12657741 | https://www.ncbi.nlm.nih.gov/pubmed/28554999 | https://www.ncbi.nlm.nih.gov/pubmed/27956069 |https://www.ncbi.nlm.nih.gov/pubmed/27690066

Dimethyl phosphate is a metabolite of organophosphate pesticides. The urinary levels of dimethyl phosphate are used as a biochemical marker to assess/predict the health risk of people exposed to pesticides.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Pesticide toxicity 2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28554999 https://www.ncbi.nlm.nih.gov/pubmed/27956069 https://www.ncbi.nlm.nih.gov/pubmed/12657741	Diagnostic		Not Provided 504	Unknown Approved Use Unknown
Unknown 2578

PubMed

Title	Date	PubMed
Measurement of organophosphate metabolites in postpartum meconium as a potential biomarker of prenatal exposure: a validation study.	2001 Apr	11335191
Negative ion chemical ionization GC/MS-MS analysis of dialkylphosphate metabolites of organophosphate pesticides in urine of non-occupationally exposed subjects.	2001 Jul	11478632
Solvent effects on the reaction coordinate of the hydrolysis of phosphates and sulfates: application of Hammond and anti-Hammond postulates to understand hydrolysis in solution.	2001 Nov 28	11716732
The magnitude of [C-H...O] hydrogen bonding in molecular and supramolecular assemblies.	2001 Sep 26	11562207
Cross-linked bis-hemoglobins: connections and oxygen binding.	2003 Sep 10	12952468
Acute poisoning with phosphamidon: determination of dimethyl phosphate (DMP) as a stable metabolite in a case of organophosphate insecticide intoxication.	2004 Apr	15107151
Hydrolysis of organophosphorus insecticides by in vitro modified carboxylesterase E3 from Lucilia cuprina.	2004 Apr	15041019
Concentrations of dialkyl phosphate metabolites of organophosphorus pesticides in the U.S. population.	2004 Feb	14754573
Association of in utero organophosphate pesticide exposure and fetal growth and length of gestation in an agricultural population.	2004 Jul	15238287
Theoretical method for full ab initio calculation of DNA/RNA-ligand interaction energy.	2004 Jun 22	15268172
Rapid and sensitive quantitative analysis of alkyl phosphates in urine after organophosphate poisoning.	2004 May-Jun	15189674
An estimation of the exposure to organophosphorus pesticides through the simultaneous determination of their main metabolites in urine by liquid chromatography-tandem mass spectrometry.	2004 Sep 5	15261816
Organophosphate urinary metabolite levels during pregnancy and after delivery in women living in an agricultural community.	2005 Dec	16330368
Theoretical studies of the hydroxide-catalyzed P-O cleavage reactions of neutral phosphate triesters and diesters in aqueous solution: examination of the changes induced by H/Me substitution.	2005 Dec 1	16853939
Lessons learned for the assessment of children's pesticide exposure: critical sampling and analytical issues for future studies.	2005 Oct	16203262
Pesticide exposure alters follicle-stimulating hormone levels in Mexican agricultural workers.	2005 Sep	16140621
A comprehensive evaluation of the testicular toxicity of dichlorvos in Wistar rats.	2005 Sep 15	15979224
Transition state analogues for nucleotidyl transfer reactions: Structure and stability of pentavalent vanadate and phosphate ester dianions.	2006 Aug 3	16869614
8-Hydroxydeoxyguanosine levels in human leukocyte and urine according to exposure to organophosphorus pesticides and paraoxonase 1 genotype.	2007 Jan	16915393
Relationships between 31P chemical shift tensors and conformation of nucleic acid backbone: a DFT study.	2007 Mar 15	17315915
Ca2+-dimethylphosphate complex formation: providing insight into Ca2+-mediated local dehydration and membrane fusion in cells.	2008 Apr	18452809
Theoretical investigation of the reaction mechanism for the phosphate diester hydrolysis using an asymmetric dinuclear metal complex as a biomimetic model of the purple acid phosphatase enzyme.	2008 Dec 14	19030600
Para niños saludables: a community intervention trial to reduce organophosphate pesticide exposure in children of farmworkers.	2008 May	18470300
Kinetics and mechanism for degradation of dichlorvos by permanganate in drinking water treatment.	2009 Aug	19515397
Combined suicide by oxydemeton-methyl (Metasystox) ingestion and hanging.	2009 Aug 10	19428202
Ionic liquids as superior solvents for headspace gas chromatography of residual solvents with very low vapor pressure, relevant for pharmaceutical final dosage forms.	2009 Aug 7	19560778
Variation across the agricultural season in organophosphorus pesticide urinary metabolite levels for Latino farmworkers in eastern North Carolina: project design and descriptive results.	2009 Jul	19517490
Analysis of dialkyl phosphate metabolites in hair using gas chromatography-mass spectrometry: a biomarker of chronic exposure to organophosphate pesticides.	2009 May	19399659
Dimethyl [(4-fluoro-phen-yl)(6-methoxy-benzothia-zol-2-ylamino)meth-yl]phospho-nate.	2009 May 7	21583070
DNA damage in horticultural farmers: a pilot study showing an association with organophosphate pesticide exposure.	2009 Nov	19863182
Geometrical and vibrational features of phosphate, phosphorothioate and phosphorodithioate linkages interacting with hydrated cations: a DFT study.	2009 Sep 1	19442575
Organophosphate pesticide exposure and attention in young Mexican-American children: the CHAMACOS study.	2010 Dec	21126939
Revised method for routine determination of urinary dialkyl phosphates using gas chromatography-mass spectrometry.	2010 May 15	20207202
The osmolyte TMAO stabilizes native RNA tertiary structures in the absence of Mg2+: evidence for a large barrier to folding from phosphate dehydration.	2010 Nov 19	20875423

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:03:18 GMT 2023` Edited by `admin` on `Sat Dec 16 09:03:18 GMT 2023`
Record UNII	6Y9431DWHB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SODIUM DIMETHYL PHOSPHATE

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

635002