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2D Structure
Also known as: 1847-58-1, Lathanol, Lathanol lal, Nacconol lal, Acetic acid, sulfo-, 1-dodecyl ester, sodium salt, Sulfoacetic acid dodecyl ester s-sodium salt
Molecular Formula
C14H27NaO5S
Molecular Weight
330.42  g/mol
InChI Key
UAJTZZNRJCKXJN-UHFFFAOYSA-M
FDA UNII
D0Y70F2B9J

Sodium lauryl sulfoacetate is a wetting agent and surfactant used in enema-type laxative products.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2-dodecoxy-2-oxoethanesulfonate
2.1.2 InChI
InChI=1S/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(15)13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1
2.1.3 InChI Key
UAJTZZNRJCKXJN-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-].[Na+]
2.2 Other Identifiers
2.2.1 UNII
D0Y70F2B9J
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1847-58-1

2. Lathanol

3. Lathanol Lal

4. Nacconol Lal

5. Acetic Acid, Sulfo-, 1-dodecyl Ester, Sodium Salt

6. Sulfoacetic Acid Dodecyl Ester S-sodium Salt

7. Sodium 2-(dodecyloxy)-2-oxoethane-1-sulphonate

8. Sodium 2-(dodecyloxy)-2-oxoethanesulfonate

9. Acetic Acid, Sulfo-, Dodecyl Ester, S-sodium Salt

10. D0y70f2b9j

11. Herba Houttuyniae

12. Lathanol-lal 70

13. Dodecyl Sodium Sulfoacetate

14. Hsdb 7256

15. Dodecyl Sulfoacetate S-sodium Salt

16. Einecs 217-431-7

17. Unii-d0y70f2b9j

18. Sulfoacetic Acid 1-dodecyl Ester, Sodium Salt

19. Sulfoacetic Acid, 1-dodecyl Ester, Sodium Salt

20. Sodium Houttyfonate

21. Schembl121777

22. Dtxsid4027442

23. Bcp18547

24. Akos015900630

25. Sodium Lauryl Sulfoacetate, Aldrichcpr

26. Sodium;2-dodecoxy-2-oxoethanesulfonate

27. Ccg-267809

28. Db13157

29. Sodium Lauryl Sulfoacetate [ii]

30. Sodium Lauryl Sulfoacetate [hsdb]

31. Sodium Lauryl Sulfoacetate [inci]

32. Sodium Lauryl Sulfoacetate [vandf]

33. Sodium2-(dodecyloxy)-2-oxoethanesulfonate

34. Hy-107789

35. Sodium Lauryl Sulfoacetate [who-dd]

36. Cs-0030663

37. Ft-0657433

38. Na 2-(dodecyloxy)-2-oxoethane-1-sulphonate

39. H11025

40. W-109718

41. Q27275949

42. Acetic Acid, 2-sulfo-, Dodecyl Ester, Sodium Salt (1:1)

43. Sodium New Houttuyfonate Pound>>sodium Houttuyfonate Pound>>lathanol Lal Pound>>nacconol Lal

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 330.42 g/mol
Molecular Formula C14H27NaO5S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass330.14768941 g/mol
Monoisotopic Mass330.14768941 g/mol
Topological Polar Surface Area91.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Indication

Sodium lauryl sulfoacetate is not an active pharmacological ingredient in pharmaceutical preparations and so has no official indication.


5 Pharmacology and Biochemistry
5.1 Pharmacology

Sodium lauryl sulfoacetate acts as a wetting agent and surfactant in pharmaceutical preparations. It is currently used in enema-type laxatives.


5.2 ATC Code

B05XA02

S76 | LUXPHARMA | Pharmaceuticals Marketed in Luxembourg | Pharmaceuticals marketed in Luxembourg, as published by d'Gesondheetskeess (CNS, la caisse nationale de sante, www.cns.lu), mapped by name to structures using CompTox by R. Singh et al. (in prep.). List downloaded from https://cns.public.lu/en/legislations/textes-coordonnes/liste-med-comm.html. Dataset DOI:10.5281/zenodo.4587355


5.3 Absorption, Distribution and Excretion

Sodium lauryl Sulfoacetate can be absorbed through guinea pig skin. Two groups of 6 female weanling guinea pigs were immersed in either 0.2% aqueous sodium lauryl sulfoacetate or distilled water for 4 hr on 3 consecutive days. ... Seven blood samples were taken before and after each immersion and 24 hr after the final immersion. ....The blood concentrations of sodium lauryl sulfoacetate reached a maximum at the end of each immersion, which increased with each subsequent immersion.

Christian M, ed; J American College of Toxicology 6 (3): 261- 278 (1987)