MedKoo Cat#: 413777 | Name: Docusate calcium
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Description:

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

Docusate calcium is an all-purpose surfactant, wetting agent, and solubilizer used in the drug, cosmetics, and food industries. It has also been used in laxatives and as cerumenolytics. It is usually administered as either the calcium, potassium, or sodium salt.

Chemical Structure

Docusate calcium
Docusate calcium
CAS#128-49-4 (calcium)

Theoretical Analysis

MedKoo Cat#: 413777

Name: Docusate calcium

CAS#: 128-49-4 (calcium)

Chemical Formula: C40H74CaO14S2

Exact Mass: 0.0000

Molecular Weight: 883.22

Elemental Analysis: C, 54.40; H, 8.45; Ca, 4.54; O, 25.36; S, 7.26

Price and Availability

Size Price Availability Quantity
100mg USD 350.00 2 Weeks
250mg USD 650.00 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
Docusate calcium; Dioctyl calcium sulfosuccinate; Surfak; Calcium dioctyl sulfosuccinate; Doxical
IUPAC/Chemical Name
Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, calcium salt
InChi Key
DWKPZOZZBLWFJX-UHFFFAOYSA-L
InChi Code
InChI=1S/2C20H38O7S.Ca/c2*1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h2*16-18H,5-15H2,1-4H3,(H,23,24,25);/q;;+2/p-2
SMILES Code
O=C(OCC(CC)CCCC)C(S(=O)([O-])=O)CC(OCC(CC)CCCC)=O.O=C(OCC(CC)CCCC)C(S(=O)([O-])=O)CC(OCC(CC)CCCC)=O.[Ca+2]
Appearance
Solid powder
Purity
>97% (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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
Biological target:
Docusate calcium is an all-purpose surfactant, wetting agent, and solubilizer used in the drug, cosmetics, and food industries.
In vitro activity:
TBD
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 883.22 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.

Recalculate based on batch purity %
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: Fakheri RJ, Volpicelli FM. Things We Do for No Reason: Prescribing Docusate for Constipation in Hospitalized Adults. J Hosp Med. 2019 Feb;14(2):110-113. doi: 10.12788/jhm.3124. PMID: 30785419. 2: 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. PMID: 27154771. 3: 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. PMID: 22889861. 4: 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. English, French. doi: 10.5737/1181912x234236240. PMID: 24428006. 5: Pasay D, Guirguis M, Shkrobot R, Slobodan J, Bresee L. Association of Dissemination of an Educational Communication Tool With Docusate Administration. JAMA Intern Med. 2017 Oct 1;177(10):1433-1436. doi: 10.1001/jamainternmed.2017.3605. PMID: 28783816; PMCID: PMC5710216. 6: 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. doi: 10.1155/2014/631740. PMID: 25390617; PMCID: PMC4234355. 7: 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. PMID: 22101097. 8: Docusate sodium. Nurs Times. 2005 Mar 29-Apr 4;101(13):33. PMID: 15819494. 9: 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. doi: 10.1016/s0885-3924(99)00157-8. PMID: 10699540. 10: 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. doi: 10.1046/j.1365-2036.1998.00336.x. PMID: 9663731.