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MolPort-001-786-409

MolPort-001-786-409

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Also known as: 4-ethenylbenzenesulfonic acid, 4-styrenesulfonic acid, 28210-41-5, 98-70-4, Polystyrene sulfonate, 4-vinylbenzenesulfonic acid

Molecular Formula

C₈H₈O₃S

Molecular Weight

184.21 g/mol

InChI Key

MAGFQRLKWCCTQJ-UHFFFAOYSA-N

FDA UNII

1D1822L42I

Sodium Polystyrene Sulfonate is a potassium ion exchange resin composed of benzene-diethyl polymer with ethenyl-benzene, sulfonated, sodium salt. Administered as an oral suspension, sodium polystyrene sulfonate lowers serum potassium levels by exchanging its sodium ions for potassium ions. Acting primarily in the large intestine, this agent also exchanges its sodium ions for calcium and magnesium ions, resulting in a decrease in serum calcium and magnesium levels. (NCI04)

1 2D Structure

MolPort-001-786-409

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-ethenylbenzenesulfonic acid

2.1.2 InChI

InChI=1S/C8H8O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h2-6H,1H2,(H,9,10,11)

2.1.3 InChI Key

MAGFQRLKWCCTQJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C=CC1=CC=C(C=C1)S(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

1D1822L42I

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Calcium Polystyrene Sulfonate

2. Calcium Resonium

3. Kalimate

4. Kayexalate

5. Poly(styrene Sulfonate Sodium Salt)

6. Poly(styrenesulfonate)

7. Polystyrene Sulfonate

8. Polystyrene Sulfonic Acid

9. Polystyrene Sulfonic Acid, Homopolymer, Calcium Salt

10. Polystyrene Sulfonic Acid, Homopolymer, Sodium Salt

11. Psso3

12. Resonium-a

2.3.2 Depositor-Supplied Synonyms

1. 4-ethenylbenzenesulfonic Acid

2. 4-styrenesulfonic Acid

3. 28210-41-5

4. 98-70-4

5. Polystyrene Sulfonate

6. 4-vinylbenzenesulfonic Acid

7. Benzenesulfonic Acid, 4-ethenyl-

8. P-vinylbenzenesulfonic Acid

9. 1d1822l42i

10. Polystyrene Sulfonic Acid

11. Styrene-4-sulphonic Acid

12. Mfcd00165973

13. Unii-1d1822l42i

14. 9080-79-9

15. Benzenesulfonic Acid, 4-ethenyl-, Homopolymer

16. Schembl25711

17. Poly(sodium P-styrenesulfonate)

18. Sodium Polystyrene Sulfonic Acid

19. Chembl1490300

20. Dtxsid5045045

21. Zinc1841096

22. Akos024462356

23. Benzenesulfonic Acid,4-ethenyl-, Homopolymer

24. Cs-0187639

25. Ft-0660598

26. Q3395465

27. Poly(styrene Sulfonic Acid), M.w. 75,000, 30% W/v Aqueous Solution

28. Polystyrene Sulfonic Acid (rigid, Macroporous 200-400 Micrometer, 1-2 Mmol/g)

2.3.3 Other Synonyms

1. Polystyrene Sulfonic Acid, Homopolymer, Sodium Salt

2. Poly(styrene Sulfonate Sodium Salt)

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₈O₃S
Molecular Weight	184.21 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	184.01941529 g/mol
Monoisotopic Mass	184.01941529 g/mol
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	242
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Cation Exchange Resins

High molecular weight insoluble polymers which contain functional anionic groups that are capable of undergoing exchange reactions with cations. (See all compounds classified as Cation Exchange Resins.)

Chelating Agents

Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS. (See all compounds classified as Chelating Agents.)

4.2 ATC Code

V - Various

V03 - All other therapeutic products

V03A - All other therapeutic products

V03AE - Drugs for treatment of hyperkalemia and hyperphosphatemia

V03AE01 - Polystyrene sulfonate