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Technical details about Potassium Guaiacolsulfonate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Potassium guaiacolsulfonate hemihydrate, Potassium 4-guaiacolsulfonate hemihydrate, Potassium 4-hydroxy-3-methoxybenzenesulfonate hemihydrate, 3qsr9rw0v3, Potassium guaiacolsulfonate hydrate, S5799
Molecular Formula
C14H16K2O11S2
Molecular Weight
502.6  g/mol
InChI Key
AHTXUEDLGSAAMV-UHFFFAOYSA-L
FDA UNII
3QSR9RW0V3

Guaiacolsulfonate is an aromatic sulfonic acid. Potassium guaiacolsulfonate salt is an expectorant that thins the mucus in the lungs and reduces chest congestion.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
dipotassium;4-hydroxy-3-methoxybenzenesulfonate;hydrate
2.1.2 InChI
InChI=1S/2C7H8O5S.2K.H2O/c2*1-12-7-4-5(13(9,10)11)2-3-6(7)8;;;/h2*2-4,8H,1H3,(H,9,10,11);;;1H2/q;;2*+1;/p-2
2.1.3 InChI Key
AHTXUEDLGSAAMV-UHFFFAOYSA-L
2.1.4 Canonical SMILES
COC1=C(C=CC(=C1)S(=O)(=O)[O-])O.COC1=C(C=CC(=C1)S(=O)(=O)[O-])O.O.[K+].[K+]
2.2 Other Identifiers
2.2.1 UNII
3QSR9RW0V3
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Guaiacolsulfonate Potassium

2. Guaiacolsulfonic Acid

3. Guaiacolsulfonic Acid, Monopotassium Salt

4. Thiocol

2.3.2 Depositor-Supplied Synonyms

1. Potassium Guaiacolsulfonate Hemihydrate

2. Potassium 4-guaiacolsulfonate Hemihydrate

3. Potassium 4-hydroxy-3-methoxybenzenesulfonate Hemihydrate

4. 3qsr9rw0v3

5. Potassium Guaiacolsulfonate Hydrate

6. S5799

7. Q27257914

8. Potassium 4-hydroxy-3-methoxybenzenesulfonate Hydrate

9. Monopotassium 4-hydroxy-3-methoxybenzenesulfonate Hemihydrate

10. Monopotassium 4-hydroxy-3-methoxybenzenesulphonate Hemihydrate

11. 4-hydroxy-3-methoxybenzenesulfonic Acid Monopotassium Salt Hemihydrate

2.4 Create Date
2014-04-09
3 Chemical and Physical Properties
Molecular Weight 502.6 g/mol
Molecular Formula C14H16K2O11S2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count2
Exact Mass501.9408166 g/mol
Monoisotopic Mass501.9408166 g/mol
Topological Polar Surface Area191 Ų
Heavy Atom Count29
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5
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