Docusate sodium | Colace | CAS#10041-19-7 | CAS#577-11-7 | Stool Softner | Ceruminolytic Agent

MedKoo Cat#: 531016 | Name: Docusate sodium

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Docusate, also known as Colace and DocQLace, is stool softener for the treatment of constipation. Docusate sodium is also a sulfosuccinate surfactant that can act as an off-label ceruminolytic agent to soften ear wax and relieve ear canal obstruction. Docusate may inactivate viral pathogens by disrupting viral envelopes and/or denaturing/disassociating proteins. 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).

Chemical Structure

Docusate sodium

CAS#577-11-7 (sodium)

Theoretical Analysis

MedKoo Cat#: 531016

Name: Docusate sodium

CAS#: 577-11-7 (sodium)

Chemical Formula: C20H37NaO7S

Exact Mass: 0.0000

Molecular Weight: 444.56

Elemental Analysis: C, 54.04; H, 8.39; Na, 5.17; O, 25.19; S, 7.21

Price and Availability

Size	Price	Availability	Quantity
25g	USD 450.00	2 weeks

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Related CAS #

10041-19-7 (acid) 128-49-4 (calcium) 577-11-7 (sodium) 7491-09-0 (potassium) 15968-85-1 (aluminum)

Synonym

Dioctyl sodium sulfosuccinate; Dioctyl sulfosuccinate sodium salt; Aerosol OT

IUPAC/Chemical Name

sodium 1,4-bis((2-ethylhexyl)oxy)-1,4-dioxobutane-2-sulfonate

InChi Key

APSBXTVYXVQYAB-UHFFFAOYSA-M

InChi Code

InChI=1S/C20H38O7S.Na/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;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1

SMILES Code

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

Appearance

White to off-white solid powder.

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

Docusate Sodium (Dioctyl sulfosuccinate sodium salt) is a laxative used for the research of constipation, for constipation due to the use of opiates it maybe used with a stimulant laxative, can be taken by mouth or rectally.

In vitro activity:

TBD

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMF	10.0	0.22
	DMSO	88.0	197.95
	Ethanol	51.5	115.85
	Ethanol:PBS (pH 7.2) (1:5)	0.2	0.36
	Water	19.0	42.74

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 444.56 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

TBD

In vitro protocol:

TBD

In vivo protocol:

TBD

1: Tarumi Y, Wilson MP, Szafran O, Spooner GR. Randomized, double-blind, placebo-controlled trial of oral docusate in the management of constipation in hospice patients. J Pain Symptom Manage. 2013 Jan;45(1):2-13. doi: 10.1016/j.jpainsymman.2012.02.008. Epub 2012 Aug 11. PubMed PMID: 22889861. 2: Ruston T, Hunter K, Cummings G, Lazarescu A. Efficacy and side-effect profiles of lactulose, docusate sodium, and sennosides compared to PEG in opioid-induced constipation: a systematic review. Can Oncol Nurs J. 2013 Autumn;23(4):236-46. Review. English, French. PubMed PMID: 24428006. 3: Smith DJ, Shah JK, Maginn EJ. Molecular dynamics simulation study of the association of lidocainium docusate and its derivatives in aqueous solution. Mol Pharm. 2015 Jun 1;12(6):1893-901. doi: 10.1021/mp5005993. Epub 2015 May 13. PubMed PMID: 25922888. 4: Sykes N. Emerging evidence on docusate: commentary on Tarumi et al. J Pain Symptom Manage. 2013 Jan;45(1):1. doi: 10.1016/j.jpainsymman.2012.11.001. PubMed PMID: 23290570. 5: MacMillan TE, Kamali R, Cavalcanti RB. Missed Opportunity to Deprescribe: Docusate for Constipation in Medical Inpatients. Am J Med. 2016 Sep;129(9):1001.e1-7. doi: 10.1016/j.amjmed.2016.04.008. Epub 2016 May 3. PubMed PMID: 27154771. 6: Nader ME, Saliba I. Ototoxicity of intratympanic docusate sodium and mineral oil in the guinea pig. Otolaryngol Head Neck Surg. 2012 Mar;146(3):455-60. doi: 10.1177/0194599811429255. Epub 2011 Nov 18. PubMed PMID: 22101097. 7: Emami N, Ng B, Roskies M, Wazqar L, Makhoul G, Citra D, Daniel SJ. Assessment of the ototoxicity of docusate sodium (colace) in a guinea pig animal model. J Otolaryngol Head Neck Surg. 2012 Oct;41(5):316-9. PubMed PMID: 23092833. 8: Edenfield AL, Siddiqui NY, Wu JM, Dieter AA, Garrett MA, Visco AG. Polyethylene Glycol 3350 and Docusate Sodium Compared With Docusate Sodium Alone After Urogynecologic Surgery: A Randomized Controlled Trial. Obstet Gynecol. 2016 Sep;128(3):543-9. doi: 10.1097/AOG.0000000000001565. PubMed PMID: 27500338. 9: Clark K, Currow DC. Re: oral docusate in the management of constipation in hospice patients. J Pain Symptom Manage. 2012 Dec;44(6):e6-7; author reply e8. doi: 10.1016/j.jpainsymman.2012.08.011. PubMed PMID: 23217455. 10: Paré P, Fedorak RN. Systematic review of stimulant and nonstimulant laxatives for the treatment of functional constipation. Can J Gastroenterol Hepatol. 2014 Nov;28(10):549-57. Review. PubMed PMID: 25390617; PubMed Central PMCID: PMC4234355. 11: Patel M, Schimpf MO, O'Sullivan DM, LaSala CA. The use of senna with docusate for postoperative constipation after pelvic reconstructive surgery: a randomized, double-blind, placebo-controlled trial. Am J Obstet Gynecol. 2010 May;202(5):479.e1-5. doi: 10.1016/j.ajog.2010.01.003. Epub 2010 Mar 6. PubMed PMID: 20207340. 12: McRorie JW, Daggy BP, Morel JG, Diersing PS, Miner PB, Robinson M. Psyllium is superior to docusate sodium for treatment of chronic constipation. Aliment Pharmacol Ther. 1998 May;12(5):491-7. PubMed PMID: 9663731. 13: Rosal R, Rodea-Palomares I, Boltes K, Fernández-Piñas F, Leganés F, Petre A. Ecotoxicological assessment of surfactants in the aquatic environment: combined toxicity of docusate sodium with chlorinated pollutants. Chemosphere. 2010 Sep;81(2):288-93. doi: 10.1016/j.chemosphere.2010.05.050. Epub 2010 Jun 25. PubMed PMID: 20579683. 14: Alves F, Oliveira FS, Schröder B, Matos C, Marrucho IM. Synthesis, characterization, and liposome partition of a novel tetracycline derivative using the ionic liquids framework. J Pharm Sci. 2013 May;102(5):1504-12. doi: 10.1002/jps.23487. Epub 2013 Feb 28. PubMed PMID: 23450634. 15: Gong Y, Wen A, Cheung D, Wong M, Sacks SL. Preclinical evaluation of docusate as protective agent from herpes simplex viruses. Antiviral Res. 2001 Oct;52(1):25-32. PubMed PMID: 11530185. 16: Whatley VN, Dodds CL, Paul RI. Randomized clinical trial of docusate, triethanolamine polypeptide, and irrigation in cerumen removal in children. Arch Pediatr Adolesc Med. 2003 Dec;157(12):1177-80. PubMed PMID: 14662569. 17: Hurdon V, Viola R, Schroder C. How useful is docusate in patients at risk for constipation? A systematic review of the evidence in the chronically ill. J Pain Symptom Manage. 2000 Feb;19(2):130-6. PubMed PMID: 10699540. 18: Riehl M, Harms M, Hanefeld A, Mäder K. Investigation of the stabilizer elimination during the washing step of charged PLGA microparticles utilizing a novel HPLC-UV-ELSD method. Eur J Pharm Biopharm. 2015 Aug;94:468-72. doi: 10.1016/j.ejpb.2015.06.025. Epub 2015 Jul 2. PubMed PMID: 26144665. 19: Singer AJ, Sauris E, Viccellio AW. Ceruminolytic effects of docusate sodium: a randomized, controlled trial. Ann Emerg Med. 2000 Sep;36(3):228-32. PubMed PMID: 10969225. 20: Ormarsson OT, Asgrimsdottir GM, Loftsson T, Stefansson E, Lund SH, Bjornsson ES. Free fatty acid suppositories are as effective as docusate sodium and sorbitol enemas in treating constipation in children. Acta Paediatr. 2016 Jun;105(6):689-94. doi: 10.1111/apa.13394. Epub 2016 Apr 8. PubMed PMID: 26948070.