Docusate calciumProduct ingredient for Docusate
- Name
- Docusate calcium
- Drug Entry
- Docusate
Docusate, or dioctyl sulfosuccinate, is a stool softener indicated for the treatment of constipation1. Docusate acts by increasing the amount of water the stool absorbs in the gut, making the stool softer and easier to pass 7. Docusate can be orally or rectally administered. Docusate is on the World Health Organization's List of Essential Medicines10. However the effectiveness of docusate in treating constipation remains unclear, as several studies report docusate to be no more effective than placebo for increasing the frequency of stool or stool softening 6,2,5. Recently there has been pressure to stop prescribing docusate as it has been identified as an ineffective medicine3,5,9. Additionally, it does not appear to lessen symptoms associated with constipation such as abdominal cramps. Still docusate is available in over-the-counter products as a common laxative.
- Accession Number
- DBSALT001505
- Structure
Structure for Docusate calcium (DBSALT001505)
- Synonyms
- Dioctyl calcium sulfosuccinate / Docusate calcium
- UNII
- 6K7YS503HC
- CAS Number
- 128-49-4
- Weight
- Average: 883.22
Monoisotopic: 882.4145903 - Chemical Formula
- C40H74CaO14S2
- InChI Key
- DWKPZOZZBLWFJX-UHFFFAOYSA-L
- InChI
- 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
- IUPAC Name
- calcium bis(1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate)
- SMILES
- [Ca++].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O.CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O
- External Links
- ChemSpider
- 29137
- ChEMBL
- CHEMBL2106608
- Wikipedia
- Docusate
- Predicted Properties
Property Value Source Water Solubility 0.000524 mg/mL ALOGPS logP 5.3 ALOGPS logP 5.24 Chemaxon logS -6.2 ALOGPS pKa (Strongest Acidic) -0.75 Chemaxon pKa (Strongest Basic) -6.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 109.8 Å2 Chemaxon Rotatable Bond Count 36 Chemaxon Refractivity 106.23 m3·mol-1 Chemaxon Polarizability 46.31 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon