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Docusate Potassium

Docusate Potassium

Synopsis, Chemistry

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Also known as: 7491-09-0, Rectalad enema, Rectalad, Dioctyl potassium sulfosuccinate, Cik9f54zhr, Potassium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate

Molecular Formula

C₂₀H₃₇KO₇S

Molecular Weight

460.7 g/mol

InChI Key

CACRHRQTJDKAPJ-UHFFFAOYSA-M

FDA UNII

CIK9F54ZHR

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.

1 2D Structure

Docusate Potassium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate

2.1.2 InChI

InChI=1S/C20H38O7S.K/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

2.1.3 InChI Key

CACRHRQTJDKAPJ-UHFFFAOYSA-M

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

CIK9F54ZHR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Aerosol Ot

2. Colace

3. Deh Na Ss

4. Deh-na-ss

5. Diethylhexyl Sodium Sulfosuccinate

6. Dioctyl Sulfosuccinate

7. Dioctyl Sulfosuccinate, Sodium

8. Dioctyl Sulfosuccinates

9. Dioctyl Sulfosuccinic Acid

10. Dioctyl Sulfosuccinic Acid, Ammonium Salt

11. Dioctyl Sulfosuccinic Acid, Barium Salt

12. Dioctyl Sulfosuccinic Acid, Calcium Salt

13. Dioctyl Sulfosuccinic Acid, Magnesium Salt

14. Dioctyl Sulfosuccinic Acid, Potassium Salt

15. Dioctyl Sulfosuccinic Acid, Sodium Salt

16. Dioctylsulfosuccinate

17. Dioctylsulphosuccinate, Sodium

18. Docusate

19. Docusate Calcium

20. Docusate Sodium

21. Doss

22. Sodium Bis(2-ethylhexyl)sulfosuccinate

23. Sodium Dioctyl Sulfosuccinate

24. Sodium Dioctylsulphosuccinate

25. Sodium Sulfosuccinate, Diethylhexyl

26. Sulfosuccinate, Diethylhexyl Sodium

27. Sulfosuccinate, Dioctyl

28. Sulfosuccinates, Dioctyl

29. Sulfosuccinic Acid Bis(2-ethylhexyl) Ester

2.3.2 Depositor-Supplied Synonyms

1. 7491-09-0

2. Rectalad Enema

3. Rectalad

4. Dioctyl Potassium Sulfosuccinate

5. Cik9f54zhr

6. Potassium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate

7. Potassium 1,4-bis(2-ethylhexyl) Sulfosuccinate

8. Butanedioic Acid, Sulfo-, 1,4-bis(2-ethylhexyl) Ester, Potassium Salt

9. Potassium 1,4-bis((2-ethylhexyl)oxy)-1,4-dioxobutane-2-sulfonate

10. Potassium 1,2-bis(2-ethylhexyloxycarbonyl)ethanesulfonate

11. Docusat Kalium

12. Potassium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate

13. Dioctylkaliumsulfosuccinat

14. Unii-cik9f54zhr

15. Docusate Potassium [usan]

16. Docusate Potassium [usan:usp]

17. Einecs 231-308-5

18. Rectalad Enema (tn)

19. Potassium 1,2-bis(2-ethylhexyloxycarbonyl)ethanesulphonate

20. Docusate Potassium (usp)

21. Ec 231-308-5

22. Schembl61043

23. Docusate Potassium [mi]

24. Chembl2107648

25. Dtxsid60996394

26. Docusate Potassium [vandf]

27. Docusate Potassium [mart.]

28. Docusate Potassium [usp-rs]

29. Docusate Potassium [who-dd]

30. Akos037645443

31. As-60792

32. Docusate Potassium [usp Monograph]

33. Cs-0455423

34. D03886

35. D93009

36. Bis(2-ethylhexyl) Sulfosuccinate Potassium Salt

37. Q27275483

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₇KO₇S
Molecular Weight	460.7 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	18
Exact Mass	460.18970617 g/mol
Monoisotopic Mass	460.18970617 g/mol
Topological Polar Surface Area	118 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	546
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Surface-Active Agents

Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics. (See all compounds classified as Surface-Active Agents.)

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