Product Name
Docusate Sodium
Description
Docusate, also known as docusate salts or dioctyl sulfosuccinate, is a laxative used to treat constipation. It is considered a good choice in children who have hard feces. For constipation due to the use of opiates it may be used with a stimulant laxative. It can be taken by mouth or rectally. Usually it works in one to three days.Side effects are uncommon. Rarely there may be abdominal cramps or diarrhea. Long term use may cause poor bowel function. Docusate is acceptable during pregnancy and breastfeeding. It is a laxative of the stool softener type and works by allowing more water to be absorbed by the feces. It typically comes in the form of a sodium, calcium, or potassium salts.It is on the World Health Organization’s List of Essential Medicines, the most important medications needed in a basic health system. It is available as a generic medication and is not very expensive. In the United States one hundred doses are about 14 USD. Dioctyl sodium sulfosuccinate is also used as a food additive, emulsifier, dispersant, and wetting agent, among others.
Synonyms
Docusate sodium salt; Sulfosuccinic acid bis(2-ethylhexyl) ester sodium salt
IUPAC Name
sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate
Molecular Formula
C20H37NaO7S
Canonical SMILES
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]
InChI
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
InChI Key
APSBXTVYXVQYAB-UHFFFAOYSA-M
Melting Point
173-179 °C(lit.)
Solubility
SOL IN WATER (G/L): 15 (25 °C), 23 (40 °C), 30 (50 °C), 55 (70 °C); SOL IN CARBON TETRACHLORIDE, PETROLEUM ETHER, NAPHTHA, XYLENE, DIBUTYL PHTHALATE, LIQUID PETROLATUM, ACETONE, ALCOHOL, VEGETABLE OILS; VERY SOL IN WATER-MISCIBLE ORGANIC SOLVENTS;FREELY SOL IN GLYCERIN;Water Solubility = 71000 mg/L @ 25 °C
Storage
4°C, sealed storage, away from moisture and light*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)
Color/Form
WHITE, WAX-LIKE SOLID
Covalently-Bonded Unit Count
2
Decomposition
WHEN HEATED TO DECOMP, EMITS TOXIC FUMES.
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
0
Isomeric SMILES
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]
Monoisotopic Mass
444.21576897
Safety Description
26-39-37/39-36
Shipping
Can be shipped at room temperature, where not in use may vary.
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Supplemental Hazard Statements
H302-H319-H361-H362-H402-H315-H318
Topological Polar Surface Area
118 Ų
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