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Substance Name: Docusate calcium [USAN:USP]
RN: 128-49-4
UNII: 6K7YS503HC
InChIKey: DWKPZOZZBLWFJX-UHFFFAOYSA-L

Note

  • 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.

Molecular Formulas

  • C20-H38-O7-S.1/2Ca
  • C40-H74-Ca-O14-S2

Molecular Weight

  • 883.2206
 

Classification Codes

  • Stool Softener
  • Surface-Active Agents
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Names and Synonyms

Name of Substance

  • Docusate calcium
  • Docusate calcium [USAN:USP]

Synonyms

  • 1,4-Bis(2-ethylhexyl) sulfosuccinate, calcium salt
  • Dioctyl calcium sulfosuccinate
  • Docusate calcium
  • EINECS 204-889-8
  • Surfak
  • UNII-6K7YS503HC

Systematic Names

  • Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, calcium salt
  • Calcium 1,4-bis(2-ethylhexyl) bis(2-sulphosuccinate)

Mixture Name

  • Doxidan

Registry Numbers

CAS Registry Number

  • 128-49-4

FDA UNII

  • 6K7YS503HC

Related Registry Number

  • 10041-19-7 (Parent)

System Generated Number

  • 0000128494

Molecular Formulas

Molecular Formulas

  • C20-H38-O7-S.1/2Ca
  • C40-H74-Ca-O14-S2

Molecular Formula Fragments

  • C20-H38-O7-S
  • Ca
  • COMPONENT

Structure Descriptors

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

InChIKey

DWKPZOZZBLWFJX-UHFFFAOYSA-L

Smiles

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-].[Ca+2]