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Polpharma European CDMO Partner & API Manufacturer since 1951 Polpharma European CDMO Partner & API Manufacturer since 1951

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Technical details about Calcium Oxybate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: Calcium oxybate, Oxybate calcium, 82316-97-0, 8w24syd6zi, Calcium bis(4-hydroxybutanoate), Einecs 279-930-6
Molecular Formula
C8H14CaO6
Molecular Weight
246.27  g/mol
InChI Key
AZRRVLSHRWGNRS-UHFFFAOYSA-L
FDA UNII
8W24SYD6ZI

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;4-hydroxybutanoate
2.1.2 InChI
InChI=1S/2C4H8O3.Ca/c2*5-3-1-2-4(6)7;/h2*5H,1-3H2,(H,6,7);/q;;+2/p-2
2.1.3 InChI Key
AZRRVLSHRWGNRS-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C(CC(=O)[O-])CO.C(CC(=O)[O-])CO.[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
8W24SYD6ZI
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Calcium Oxybate

2. Oxybate Calcium

3. 82316-97-0

4. 8w24syd6zi

5. Calcium Bis(4-hydroxybutanoate)

6. Einecs 279-930-6

7. Unii-8w24syd6zi

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

9. Schembl408933

10. Chembl4594393

11. Oxybate Calcium [who-dd]

12. Dtxsid201002609

13. Calcium Oxybate [orange Book]

14. Akos030242843

15. Xywav Component Calcium Oxybate

16. Bis(4-hydroxybutanoic Acid)calcium Salt

17. Calcium Oxybate Component Of Xywav

18. Q36431725

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

2.4 Create Date
2006-03-21
3 Chemical and Physical Properties
Molecular Weight 246.27 g/mol
Molecular Formula C8H14CaO6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass246.0416290 g/mol
Monoisotopic Mass246.0416290 g/mol
Topological Polar Surface Area121 Ų
Heavy Atom Count15
Formal Charge0
Complexity54.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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