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2D Structure
Also known as: Saccharin calcium, 6485-34-3, Saccharin, calcium, Saccharin calcium anhydrous, 09aw1odn7b, 1,2-benzisothiazol-3(2h)-one, 1,1-dioxide, calcium salt (2:1)
Molecular Formula
C14H8CaN2O6S2
Molecular Weight
404.4  g/mol
InChI Key
LNMAXKMUGYXKPJ-UHFFFAOYSA-L
FDA UNII
09AW1ODN7B

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

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;1,1-dioxo-1,2-benzothiazol-3-olate
2.1.2 InChI
InChI=1S/2C7H5NO3S.Ca/c2*9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h2*1-4H,(H,8,9);/q;;+2/p-2
2.1.3 InChI Key
LNMAXKMUGYXKPJ-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
09AW1ODN7B
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Calcium, Saccharin

2. Saccharin

3. Saccharin Calcium

4. Saccharin Sodium

2.3.2 Depositor-Supplied Synonyms

1. Saccharin Calcium

2. 6485-34-3

3. Saccharin, Calcium

4. Saccharin Calcium Anhydrous

5. 09aw1odn7b

6. 1,2-benzisothiazol-3(2h)-one, 1,1-dioxide, Calcium Salt (2:1)

7. Calcium Saccharina

8. Calcium;1,1-dioxo-1,2-benzothiazol-3-olate;1-oxido-1-oxo-1,2-benzothiazol-3-one

9. Calcium Saccharinate

10. Calcium O-benzosulfimide

11. Calcium O-benzosulphimide

12. Calcium 2-benzosulphimide

13. Ccris 4226

14. Sulphobenzoic Imide Calcium Salt

15. 6381-91-5

16. Einecs 229-349-9

17. Unii-09aw1odn7b

18. Calcium Saccharin, Anhydrous

19. 1,2-benzisothiazolin-3-one, 1,1-dioxide, Calcium Salt

20. 1,2-benzisothiazol-3(2h)-one, 1,1-dioxide, Calcium Salt

21. Calcium Saccharin Usp-23

22. Schembl49027

23. Schembl1532580

24. Chembl2219732

25. Dtxsid0021252

26. 1,1-dioxide-1,2-benzisothiazol-3(2h)-one, Calcium Salt

27. Calcium Saccharin Anhydrous

28. Calcium Bis(3-oxo-3h-1,2-benzisothiazol-2-ide 1,1-dioxide)

29. Saccharin Calcium [who-dd]

30. Calcium Saccharin Spray Dried Powder

31. Q27236475

32. 1,2-benzisothiazol-3(2h)-one,1,1-dioxide, Calcium Salt (2:1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 404.4 g/mol
Molecular Formula C14H8CaN2O6S2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass403.9449692 g/mol
Monoisotopic Mass403.9449692 g/mol
Topological Polar Surface Area156 Ų
Heavy Atom Count25
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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.)