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Lathanol

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Chemistry

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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

Lathanol

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 Formula	C₁₄H₂₇NaO₅S
Molecular Weight	330.42 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	14
Exact Mass	330.14768941 g/mol
Monoisotopic Mass	330.14768941 g/mol
Topological Polar Surface Area	91.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	338
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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)

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API Reference Price

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