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2D Structure
Also known as: 128-44-9, Sodium saccharin, Saccharin, sodium, Sodium 3-oxo-3h-benzo[d]isothiazol-2-ide 1,1-dioxide, Sodium saccharine, Saccharin sodium anhydrous
Molecular Formula
C7H4NNaO3S
Molecular Weight
205.17  g/mol
InChI Key
WINXNKPZLFISPD-UHFFFAOYSA-M
FDA UNII
I4807BK602

Flavoring agent and non-nutritive sweetener.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one
2.1.2 InChI
InChI=1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1
2.1.3 InChI Key
WINXNKPZLFISPD-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[Na+]
2.2 Other Identifiers
2.2.1 UNII
I4807BK602
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Calcium, Saccharin

2. Saccharin

3. Saccharin Calcium

2.3.2 Depositor-Supplied Synonyms

1. 128-44-9

2. Sodium Saccharin

3. Saccharin, Sodium

4. Sodium 3-oxo-3h-benzo[d]isothiazol-2-ide 1,1-dioxide

5. Sodium Saccharine

6. Saccharin Sodium Anhydrous

7. Sodium Saccharinate

8. Cristallose

9. Crystallose

10. Kristallose

11. Willosetten

12. Madhurin

13. Saccharin Sodium, Anhydrous

14. Sodium Saccharin, Anhydrous

15. Sucromat

16. Saccharin Soluble

17. Sodium Saccharide

18. Soluble Saccharin

19. Fema No. 2997

20. Saccharine Soluble

21. Saccharin Sodium Salt

22. Saccharin, Sodium Salt

23. Sodium O-benzosulfimide

24. 1,2-benzisothiazol-3(2h)-one, 1,1-dioxide, Sodium Salt

25. O-benzoic Sulfimide Sodium Salt

26. Chebi:32112

27. O-sulfonbenzoic Acid Imide Sodium Salt

28. Sodium;1,1-dioxo-1,2-benzothiazol-2-id-3-one

29. Artificial Sweetening Substanz Gendorf 450

30. I4807bk602

31. Sodium 1,2 Benzisothiazolin-3-one 1,1-dioxide

32. Saccharinnatrium

33. Soluble Gluside

34. Sucra

35. Saccharoidum Natricum

36. Sodium Benzosulphimide

37. Sodium 3-oxo-3h-1,2-benzisothiazol-2-ide 1,1-dioxide

38. Saccharine Sodium Salt

39. Sodium O-benzosulphimide

40. Sodium 2-benzosulphimide

41. 6155-57-3

42. 1,2-benzothiazol-3(2h)-one 1,1-dioxide Sodium Salt

43. Ccris 706

44. Benzoic Acid Sulfimide, Sodium

45. Nsc-4867

46. Sulphobenzoic Imide, Sodium Salt

47. O-sulfobenzimide Sodium Salt Dihydrate

48. Nsc 4867

49. Einecs 204-886-1

50. Saccharin, Sodium Salt (c7h5no3s.xna)

51. 1,2-benzisothiazol-3(2h)-one 1,1-dioxide, Sodium Salt

52. Unii-i4807bk602

53. Sodium 1,2 Benzisothiazolin-3-one-1,1-dioxide

54. Sodium 1,2-benzisothiazolin-3-one 1,1-dioxide

55. Sodium 1,2-benzisothiazol-3(2h)-one, 1,1-dioxide

56. 1,2-benzisothiazolin-3-one, 1,1-dioxide, Sodium Salt

57. Saccharin - Sodium Salt

58. Hermesetas Original (tn)

59. Dsstox_cid_1253

60. Ec 204-886-1

61. Schembl3372

62. Dsstox_rid_76040

63. Dsstox_gsid_21253

64. Sodium Saccharin [fcc]

65. Chembl2219743

66. Dtxsid5021253

67. 1,1-dioxide-1,2-benzisothiazol-3(2h)-one, Sodium Salt

68. 1,2-benzisothiazolin-3-one, 1,1-dioxide, Sodium Deriv.

69. Saccharin Sodium [who-dd]

70. Saccharin Sodium [who-ip]

71. Tox21_200515

72. Mfcd00982148

73. Saccharin Sodium Salt [fhfi]

74. Akos000121310

75. Akos004110724

76. Saccharin Sodium [ep Monograph]

77. Saccharin Sodium Anhydrous [ii]

78. Ncgc00258069-01

79. Ac-11597

80. As-69031

81. Cas-128-44-9

82. Saccharin Sodium 100 Microg/ml In Water

83. Db-041898

84. Saccharinum Natricum [who-ip Latin]

85. B0131

86. Ft-0631749

87. Saccharin Sodium, Anhydrous [who-ip]

88. D08500

89. Q27094367

90. Saccharin Sodium 1000 Microg/ml In Acetonitrile:water

91. 1,2-benzisothiazolin-3-one 1,1-dioxide Sodium Salt

92. 3-oxo-3h-1,2-benzothiazol-2-ide 1,1-dioxide (na+, H2o)

93. Sodium 1,1,3-trioxo-2,3-dihydro-1??,2-benzothiazol-2-ide

94. 1,2-benzisothiazol-3(2h)-one, 1,1-dioxide, Sodium Salt (1:1)

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 205.17 g/mol
Molecular Formula C7H4NNaO3S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass204.98095845 g/mol
Monoisotopic Mass204.98095845 g/mol
Topological Polar Surface Area60.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Sweetening Agents

Substances that sweeten food, beverages, medications, etc., such as sugar, saccharine or other low-calorie synthetic products. (From Random House Unabridged Dictionary, 2d ed) (See all compounds classified as Sweetening Agents.)