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Details

Stereochemistry MIXED
Molecular Formula C20H37O7S.C7H5O2.2Na
Molecular Weight 588.662
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOCUSATE SODIUM/SODIUM BENZOATE

SMILES

[Na+].[Na+].[O-]C(=O)C1=CC=CC=C1.CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O

InChI

InChIKey=BKQAAHVSECBGGG-UHFFFAOYSA-L
InChI=1S/C20H38O7S.C7H6O2.2Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;8-7(9)6-4-2-1-3-5-6;;/h16-18H,5-15H2,1-4H3,(H,23,24,25);1-5H,(H,8,9);;/q;;2*+1/p-2

HIDE SMILES / InChI
Docusate, also known as docusate salts or dioctyl sulfosuccinate, prevents/relieves dry hard stool and thus is used to treat constipation. Results usually occurs 1 to 3 days after the first dose. In North America, docusate and a stimulant laxative such as sennosides are commonly used in bowel treatment protocols associated with institutionalized elderly and oncology treatments. A paucity of evidence is available to support the use of the stool softener docusate yet it continues to be prescribed in everyday clinical practice for the aforementioned populations. While the actual cost of docusate is low, additional costs associated with its administration (i.e. nursing time) and its widespread use can be significant. Docusate is absorbed into the bloodstream and excreted via the gallbladder after undergoing extensive metabolism. The effect of docusate may not necessarily be all due to its surfactant properties. Perfusion studies suggest that docusate inhibits fluid absorption or stimulates secretion in the portion of the small intestine known as the jejunum

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Palliative
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Separation and simultaneous determination of water-soluble and fat-soluble vitamins by electrokinetic capillary chromatography.
2002 Apr 12
Spectrophotometric investigation of the binding of vitamin E to water-containing reversed micelles.
2002 Mar 2
Effect of di-2-ethylhexyl sodium sulfosuccinate reversed micelles on the iron-tetrasulfonatophthalocyanine-catalyzed fluorogenic oxidation reaction of L-tyrosine with hydrogen peroxide.
2002 May
Surfactant-mediated capillary electrochromatography with octadecyl-silica- packed capillary columns for the separation of nonpolar compounds. Case of pyrethroid insecticides.
2002 May
Extraction of immunoglobulin-G from colostral whey by reverse micelles.
2003 May
Reverse micellar extraction and precipitation of lysozyme using sodium di(2-ethylhexyl) sulfosuccinate.
2003 May-Jun
Effect of reverse micelles on the Rose Bengal-sensitized photo-oxidation of 1- and 2-hydroxynaphthalenes.
2004
Shear-induced orientation of a rigid surfactant mesophase.
2004 Jul 6
Effect of cellular uptake of gelatin nanoparticles on adhesion, morphology and cytoskeleton organisation of human fibroblasts.
2004 Mar 5
Reverse micellar aggregates: effect on ketone reduction. 2. Surfactant role.
2004 Nov 26
Concentration of polyaromatic hydrocarbons in water to sodium dodecyl sulfate-gamma-alumina admicelle.
2005 Apr 1
Surfactant self-assembling in gas phase: electrospray ionization- and matrix-assisted laser desorption/ionization-mass spectrometry of singly charged AOT clusters.
2005 Dec
Investigation of micelle formation by fluorescence correlation spectroscopy.
2005 Jul 14
Vibrational relaxation of azide in formamide reverse micelles.
2005 Jul 7
Real structure of formamide entrapped by AOT nonaqueous reverse micelles: FT-IR and 1H NMR studies.
2005 Nov 10
Use of a self-assembling organogel as a reverse template in the preparation of imprinted porous polymer films.
2005 Sep 27
Spectrofluorimetric determination of tin in canned foods.
2006 Oct 11
Dye-sensitized solar cells based on nanocrystalline titania electrodes made at various sintering temperatures.
2007 Feb
Comparative study of the photophysical behavior of fisetin in homogeneous media and in anionic and cationic reverse micelles media.
2007 May-Jun
Improvement in extraction and catalytic activity of Mucor javanicus lipase by modification of AOT reverse micelle.
2007 Nov
Site-specific hydration status of an amphipathic peptide in AOT reverse micelles.
2007 Oct 23
The spectrophotometric study of the binding of vitamin E to water + dimethyl sulfoxide and water + diethyl sulfoxide containing reversed micelles.
2008 Apr 2
On the investigation of the bilayer functionalities of 1,2-di-oleoyl-sn-glycero-3-phosphatidylcholine (DOPC) large unilamellar vesicles using cationic hemicyanines as optical probes: a wavelength-selective fluorescence approach.
2008 Jan 1
Characterization of multifunctional reverse micelles' interfaces using hemicyanines as molecular probes. I. Effect of the hemicyanines' structure.
2009 Apr 2
Physico-chemical investigation of nanostructures in liquid phases: nickel chloride ionic clusters confined in sodium bis(2-ethylhexyl) sulfosuccinate reverse micelles.
2009 Aug 1
Characterization of multifunctional reverse micelles' interfaces using hemicyanines as molecular probes. II: Effect of the surfactant.
2009 May 14
Modulation of excited-state proton-transfer reactions of 7-hydroxy-4-methylcoumarin in ionic and nonionic reverse micelles.
2009 May 14
Complexes between high charge density cationic polyelectrolytes and anionic single- and double-tail surfactants.
2009 May 21
Study of the factors affecting the extraction of soybean protein by reverse micelles.
2010 Feb
Patents

Sample Use Guides

In Vivo Use Guide
Usual Adult Dose for Constipation: Oral: 50 to 400 mg (using any of the salt forms) orally administered in 1 to 4 equally divided doses each day. Rectal: 200 to 283 mg rectally administered as an enema once or twice. Alternative: 50 to 100 mg (docusate sodium liquid) added to a retention or flushing enema once a day. Usual Pediatric Dose for Constipation: Oral: less than 3 years: 10 to 40 mg (docusate sodium) orally divided in 1 to 4 doses. 3 to 6 years: 20 to 60 mg (docusate sodium) orally divided in 1 to 4 doses. 6 to 12 years: 40 to 150 mg (docusate sodium) orally divided in 1 to 4 doses. greater than 12 years: 50 to 400 mg (using any of the salt forms) orally administered in 1 to 4 equally divided doses each day. Rectal: 3 to 18 years: 50 to 100 mg (docusate sodium liquid) added to a retention or flushing enema once a day. Alternative: 200 to 283 mg rectally administered as an enema once daily as needed for constipation.
Route of Administration: Other
It was evaluated the efficacy and toxicity of docusate against herpes simplex viruses (HSV). Docusate was effective in vitro against wild type and drug-resistant strains of HSV type 1 and 2 with EC(90-100) (effective concentration giving 90-100% virus yield reduction) of approximately 0.005% (w/v). The cytotoxicity profiles of docusate were time- and dose-dependent and thus associated with the frequency of use. Kinetics of inactivation examined by pre-mixing virus and drug in a time-course experiment demonstrated that docusate could reach its EC(90-100) within 30 min.
Name Type Language
DOCUSATE SODIUM/SODIUM BENZOATE
II  
Common Name English
MONAWET MO 85P
Brand Name English
BUTANEDIOIC ACID, 2-SULFO-, 1,4-BIS(2-ETHYLHEXYL) ESTER, BENZOIC ACID, SODIUM SALT (1:1:2)
Systematic Name English
DOCUSATE SODIUM/SODIUM BENZOATE [II]
Common Name English
NEWKALGEN EX 70
Brand Name English
DIOCTYL SODIUM SULFOSUCCINATE/SODIUM BENZOATE
Common Name English
Code System Code Type Description
CAS
121183-10-6
Created by admin on Sat Dec 16 05:42:08 GMT 2023 , Edited by admin on Sat Dec 16 05:42:08 GMT 2023
PRIMARY
DAILYMED
656HXR6YXN
Created by admin on Sat Dec 16 05:42:08 GMT 2023 , Edited by admin on Sat Dec 16 05:42:08 GMT 2023
PRIMARY
PUBCHEM
71587449
Created by admin on Sat Dec 16 05:42:08 GMT 2023 , Edited by admin on Sat Dec 16 05:42:08 GMT 2023
PRIMARY
FDA UNII
656HXR6YXN
Created by admin on Sat Dec 16 05:42:08 GMT 2023 , Edited by admin on Sat Dec 16 05:42:08 GMT 2023
PRIMARY