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2D Structure
Also known as: 4-hydroxybutanoic acid potassium salt, S8nkf3h3kt, 4-hydroxybutyric acid potassium salt, Butanoic acid, 4-hydroxy-, potassium salt (1:1), 57769-01-4, Oxybate potassium
Molecular Formula
C4H7KO3
Molecular Weight
142.19  g/mol
InChI Key
TXSIWDVUJVMMKM-UHFFFAOYSA-M
FDA UNII
S8NKF3H3KT

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
potassium;4-hydroxybutanoate
2.1.2 InChI
InChI=1S/C4H8O3.K/c5-3-1-2-4(6)7;/h5H,1-3H2,(H,6,7);/q;+1/p-1
2.1.3 InChI Key
TXSIWDVUJVMMKM-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C(CC(=O)[O-])CO.[K+]
2.2 Other Identifiers
2.2.1 UNII
S8NKF3H3KT
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4-hydroxybutanoic Acid Potassium Salt

2. S8nkf3h3kt

3. 4-hydroxybutyric Acid Potassium Salt

4. Butanoic Acid, 4-hydroxy-, Potassium Salt (1:1)

5. 57769-01-4

6. Oxybate Potassium

7. Unii-s8nkf3h3kt

8. Schembl62956

9. Potassium 4-(hydroxy)butanoate

10. Chembl4594395

11. Oxybate Potassium [who-dd]

12. Potassium Oxybate [orange Book]

13. Xywav Component Potassium Oxybate

14. Potassium Oxybate Component Of Xywav

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 142.19 g/mol
Molecular Formula C4H7KO3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass142.00322557 g/mol
Monoisotopic Mass142.00322557 g/mol
Topological Polar Surface Area60.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity64.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2