Magnesium Oxybate

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;4-hydroxybutanoate

2.1.2 InChI

InChI=1S/2C4H8O3.Mg/c2*5-3-1-2-4(6)7;/h2*5H,1-3H2,(H,6,7);/q;;+2/p-2

2.1.3 InChI Key

QWZIZKOBUUSCLO-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C(CC(=O)[O-])CO.C(CC(=O)[O-])CO.[Mg+2]

2.2 Other Identifiers

2.2.1 UNII

G983HLV265

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. G983hlv265

2. Butanoic Acid, 4-hydroxy-, Magnesium Salt (2:1)

3. 82316-98-1

4. Oxybate Magnesium

5. Unii-g983hlv265

6. Schembl4302380

7. Chembl4594394

8. Oxybate Magnesium [who-dd]

9. Magnesium Oxybate [orange Book]

10. Xywav Component Magnesium Oxybate

11. Magnesium Oxybate Component Of Xywav

2.4 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₄MgO₆
Molecular Weight	230.50 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	230.0640799 g/mol
Monoisotopic Mass	230.0640799 g/mol
Topological Polar Surface Area	121 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	54.4
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	3

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