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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Saccharin potassium, Potassium saccharate, 10332-51-1, 1,2-benzisothiazol-3(2h)-one, 1,1-dioxide, potassium salt, K2beg3j28n, 1,2-benzisothiazolin-3-one, 1,1-dioxide, potassium salt

Molecular Formula

C₇H₄KNO₃S

Molecular Weight

221.28 g/mol

InChI Key

HEKURBKACCBNEJ-UHFFFAOYSA-M

FDA UNII

K2BEG3J28N

1 2D Structure

Saccharin Potassium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;1,1-dioxo-1,2-benzothiazol-2-id-3-one

2.1.2 InChI

InChI=1S/C7H5NO3S.K/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

HEKURBKACCBNEJ-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.[K+]

2.2 Other Identifiers

2.2.1 UNII

K2BEG3J28N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Saccharin Potassium

2. Potassium Saccharate

3. 10332-51-1

4. 1,2-benzisothiazol-3(2h)-one, 1,1-dioxide, Potassium Salt

5. K2beg3j28n

6. 1,2-benzisothiazolin-3-one, 1,1-dioxide, Potassium Salt

7. Potassium;1,1-dioxo-1,2-benzothiazol-2-id-3-one

8. 1,2-benzisothiazol-3(2h)-one, 1,1-dioxide, Potassium Salt (1:1)

9. Potassium;1,1-dioxo-1,2-benzothiazol-3-olate

10. Saccharin, Potassium Salt

11. Unii-k2beg3j28n

12. Potassium Saccharinate

13. Ins No.954(iii)

14. Saccharin Potassium Salt

15. Ins-954(iii)

16. Dtxsid90890654

17. E-954(iii)

18. Saccharin Potassium [mart.]

19. Akos000277807

20. Q27281856

21. 1,2-benzisothiazol-3(2h)-one,1,1-dioxide, Potassium Salt (1:1)

2.4 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₇H₄KNO₃S
Molecular Weight	221.28 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	220.95489565 g/mol
Monoisotopic Mass	220.95489565 g/mol
Topological Polar Surface Area	60.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	308
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