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ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF, 1 Listed Suppliers, $ API Reference Price

1 API Suppliers
1 USDMF
1 Listed Suppliers
$ API Reference Price

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Chemistry

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Also known as: 21799-87-1, Hydroquinonesulfonic acid potassium salt, Potassium dobesilate, 2,5-dihydroxybenzenesulfonic acid potassium salt, Benzenesulfonic acid, 2,5-dihydroxy-, monopotassium salt, Potassium hydroquinonesulfonate

Molecular Formula

C₆H₅KO₅S

Molecular Weight

228.27 g/mol

InChI Key

VKDSBABHIXQFKH-UHFFFAOYSA-M

FDA UNII

249E3F00EP

1 2D Structure

Potassium Dobesilate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;2,5-dihydroxybenzenesulfonate

2.1.2 InChI

InChI=1S/C6H6O5S.K/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3,7-8H,(H,9,10,11);/q;+1/p-1

2.1.3 InChI Key

VKDSBABHIXQFKH-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[K+]

2.2 Other Identifiers

2.2.1 UNII

249E3F00EP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Potassium Dobesilate

2.3.2 Depositor-Supplied Synonyms

1. 21799-87-1

2. Hydroquinonesulfonic Acid Potassium Salt

3. Potassium Dobesilate

4. 2,5-dihydroxybenzenesulfonic Acid Potassium Salt

5. Benzenesulfonic Acid, 2,5-dihydroxy-, Monopotassium Salt

6. Potassium Hydroquinonesulfonate

7. Potassium;2,5-dihydroxybenzenesulfonate

8. 249e3f00ep

9. Benzenesulfonic Acid, 2,5-dihydroxy-, Potassium Salt (1:1)

10. Smr000875261

11. Mfcd00007475

12. Khqs

13. Potassium,2,5-dihydroxybenzenesulfonate

14. Potassium 2,5-dihydroxybenzenesulphonate

15. Hydroquinone Sulfonic Acid,potassium Salt

16. Dsstox_cid_24410

17. Dsstox_rid_80209

18. Dsstox_gsid_44410

19. Schembl78223

20. Mls001333259

21. Mls001333260

22. Unii-249e3f00ep

23. Chembl1707052

24. Dtxsid8044410

25. Amy8945

26. Hms2234i14

27. Waa79987

28. Einecs 244-584-7

29. Tox21_302096

30. Akos015889677

31. Ncgc00255728-01

32. As-64019

33. Cas-21799-87-1

34. Db-045700

35. Potassium 2,5-dihydroxybenzene-1-sulfonate

36. Cs-0157160

37. Ft-0625555

38. H0593

39. E76054

40. A815671

41. Hydroquinone Sulfonic Acid, Potassium Salt

42. W-107519

43. 2,5-dihydroxybenzenesulfonic Acid, Monopotassium Salt

44. Q27253834

45. Hydroquinonesulfonic Acid Potassium Salt, Technical Grade

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₆H₅KO₅S
Molecular Weight	228.27 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	227.94947591 g/mol
Monoisotopic Mass	227.94947591 g/mol
Topological Polar Surface Area	106 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	246
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