Aminosalicylate Potaium

Synopsis, Chemistry

DOSSIERs // Finished Dosage Formulations

3 Dossiers, 3 FDA Orange Book

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Also known as: Potassium 4-aminosalicylate, 133-09-5, Aminosalicylate potassium, Monopotassium 4-aminosalicylate, Paskalium, Benzoic acid, 4-amino-2-hydroxy-, monopotassium salt

Molecular Formula

C₇H₆KNO₃

Molecular Weight

191.23 g/mol

InChI Key

PRZJIMSXCLZGLT-UHFFFAOYSA-M

FDA UNII

7N21461LKD

Potassium Aminosalicylate is the potassium salt form of aminosalicylic acid, an analog of aminobenzoic acid used to treat tuberculosis. Although the mechanism of action of potassium aminosalicylate remains to be elucidated, its effects on mycobacteria may be attributed to inhibition of folic acid or mycobactin (cell wall component) synthesis. This agent also inhibits the onset of drug resistance to streptomycin and isoniazid.

1 2D Structure

Aminosalicylate Potaium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;4-amino-2-hydroxybenzoate

2.1.2 InChI

InChI=1S/C7H7NO3.K/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,9H,8H2,(H,10,11);/q;+1/p-1

2.1.3 InChI Key

PRZJIMSXCLZGLT-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1=CC(=C(C=C1N)O)C(=O)[O-].[K+]

2.2 Other Identifiers

2.2.1 UNII

7N21461LKD

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Potassium 4-aminosalicylate

2. 133-09-5

3. Aminosalicylate Potassium

4. Monopotassium 4-aminosalicylate

5. Paskalium

6. Benzoic Acid, 4-amino-2-hydroxy-, Monopotassium Salt

7. Potassium;4-amino-2-hydroxybenzoate

8. 4-aminosalicylic Acid (potassium)

9. 7n21461lkd

10. Benzoic Acid, 4-amino-2-hydroxy-, Potassium Salt (1:1)

11. Einecs 205-090-7

12. Unii-7n21461lkd

13. Aminosalicylate Potassium [usp]

14. Potassium,4-amino-2-hydroxybenzoate

15. P-aminosalicylate Acid Potassium Salt

16. Potassium Paraaminosalicylate

17. Schembl1477512

18. Chembl1200584

19. Dtxsid3059634

20. P-aminosalicylic Acid Potassium Salt

21. Akos024323786

22. Potassium Aminosalicylate [orange Book]

23. P-aminosalicylic Acid Potassium Salt [mi]

24. Q27268591

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₇H₆KNO₃
Molecular Weight	191.23 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	190.99847454 g/mol
Monoisotopic Mass	190.99847454 g/mol
Topological Polar Surface Area	86.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
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