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2D Structure
Also known as: 77337-73-6, Campral, Campral ec, Alcomed, Sobriol, Aotal
Molecular Formula
C10H20CaN2O8S2
Molecular Weight
400.5  g/mol
InChI Key
BUVGWDNTAWHSKI-UHFFFAOYSA-L
FDA UNII
59375N1D0U

Structural analog of taurine that is used for the prevention of relapse in individuals with ALCOHOLISM.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;3-acetamidopropane-1-sulfonate
2.1.2 InChI
InChI=1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2
2.1.3 InChI Key
BUVGWDNTAWHSKI-UHFFFAOYSA-L
2.1.4 Canonical SMILES
CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
59375N1D0U
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Acamprosate

2. Acamprostate

3. Acetyl Homotaurinate, Calcium

4. Acetylhomotaurinate, Calcium

5. Acetylhomotaurine, Calcium

6. Acetylhomotaurine, Sodium

7. Aotal

8. Calcium Acetyl Homotaurinate

9. Calcium Acetylhomotaurinate

10. Calcium Acetylhomotaurine

11. Campral

12. Campral Ec

13. N Acetylhomotaurine

14. N Acetylhomotaurine, Monolithium Salt

15. N Acetylhomotaurine, Monopotassium Salt

16. N Acetylhomotaurine, Monosodium Salt

17. N-acetylhomotaurine

18. N-acetylhomotaurine, Calcium (2:1) Salt

19. N-acetylhomotaurine, Magnesium (2:1) Salt

20. N-acetylhomotaurine, Monolithium Salt

21. N-acetylhomotaurine, Monopotassium Salt

22. N-acetylhomotaurine, Monosodium Salt

23. N-acetylhomotaurine, Zinc (2:1) Salt

24. Regtect

25. Sodium Acetylhomotaurine

26. Zulex

2.3.2 Depositor-Supplied Synonyms

1. 77337-73-6

2. Campral

3. Campral Ec

4. Alcomed

5. Sobriol

6. Aotal

7. Calcium 3-acetamidopropane-1-sulfonate

8. Calcium Acetylhomotaurinate

9. Acamprosate Calcium [usan]

10. Calcium N-acetylhomotaurinate

11. Calcium 3-(acetylamino)propane-1-sulfonate

12. 1-propanesulfonic Acid, 3-(acetylamino)-, Calcium Salt (2:1)

13. Acamprosate (calcium)

14. Nsc-759186

15. Chebi:51042

16. Sn-102

17. 59375n1d0u

18. Calcium Bis(3-acetamidopropane-1-sulfonate)

19. Dsstox_cid_27529

20. Dsstox_rid_82399

21. Dsstox_gsid_47529

22. 77337-73-6 (calcium Salt); 77337-76-9 (free Acid).

23. Calcium Acamprosate

24. Cas-77337-73-6

25. Calcium(2+) 3-(acetylamino)propanesulphonate

26. Ncgc00167462-01

27. Einecs 278-665-3

28. N-acetylhomotaurine Calcium

29. Unii-59375n1d0u

30. Campral (tn)

31. Regtect (tn)

32. Calcium;3-acetamidopropane-1-sulfonate

33. Calcium 3-(acetylamino)propanesulphonate

34. Acamprosate Calcium- Bio-x

35. Schembl137771

36. 3-(acetylamino)-1-propanesulfonic Acid Calcium Salt

37. Acamprosate Calcium [mi]

38. Chembl2068724

39. Dtxsid6047529

40. Acamprosate Calcium (jan/usan)

41. Acamprosate Calcium [jan]

42. Hms3264j11

43. Hms3713l22

44. Pharmakon1600-01505711

45. Acamprosate Calcium [mart.]

46. Tox21_112466

47. Tox21_302606

48. Acamprosate Calcium [usp-rs]

49. Acamprosate Calcium [who-dd]

50. Mfcd00886588

51. Nsc759186

52. Akos015895192

53. Ab07649

54. Ac-5599

55. Calcium 3-acetamido-1-propanesulfonate

56. Ccg-213526

57. Ks-5292

58. Nsc 759186

59. Acamprosate Calcium [orange Book]

60. Ncgc00256899-01

61. Acamprosate Calcium [ep Monograph]

62. Ba164134

63. Acamprosate Calcium [usp Monograph]

64. Db-056209

65. Ft-0621712

66. 3-acetamido-1-propanesulfonate Calcium

67. 3-acetamido-1-propanesulphonate Calcium

68. D02780

69. T71327

70. 3-acetamido-1-propanesulfonic Acid Calcium Salt

71. A839056

72. Calcium 3-(acetylamino)propane-1-sulphonate

73. Q27122289

74. 3-(acetylamino)-1-propanesulfonic Acid Hemicalcium Salt

75. Z1696861853

76. 5-methoxy-2-methyl-1-propyl-1h-indole-3-carboxylicacid

77. 1-propanesulfonic Acid, 3-(acetylamino)-, Calcium Salt (2:1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 400.5 g/mol
Molecular Formula C10H20CaN2O8S2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass400.0286988 g/mol
Monoisotopic Mass400.0286988 g/mol
Topological Polar Surface Area189 Ų
Heavy Atom Count23
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameAcamprosate calcium
Drug LabelCampral (acamprosate calcium) is supplied in an enteric-coated tablet for oral administration. Acamprosate calcium is a synthetic compound with a chemical structure similar to that of the endogenous amino acid homotaurine, which is a structural analo...
Active IngredientAcamprosate calcium
Dosage FormTablet, delayed release
RouteOral
Strength333mg
Market StatusPrescription
CompanyMylan Pharms; Glenmark Generics; Barr Labs Div Teva

2 of 2  
Drug NameAcamprosate calcium
Drug LabelCampral (acamprosate calcium) is supplied in an enteric-coated tablet for oral administration. Acamprosate calcium is a synthetic compound with a chemical structure similar to that of the endogenous amino acid homotaurine, which is a structural analo...
Active IngredientAcamprosate calcium
Dosage FormTablet, delayed release
RouteOral
Strength333mg
Market StatusPrescription
CompanyMylan Pharms; Glenmark Generics; Barr Labs Div Teva

5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Alcohol Deterrents

Substances interfering with the metabolism of ethyl alcohol, causing unpleasant side effects thought to discourage the drinking of alcoholic beverages. Alcohol deterrents are used in the treatment of alcoholism. (See all compounds classified as Alcohol Deterrents.)