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

    Calcium Saccharin

    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.)

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    18-Sep-2023
    20-Sep-2023
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