Magnesium Orotate

Synopsis, Chemistry

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Also known as: 34717-03-8, Orotate magnesium, Magnesium;2,4-dioxo-1h-pyrimidine-6-carboxylate, Orotic acid, magnesium salt, Gi96w46m5a, Magnesium bis(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate)

Molecular Formula

C₁₀H₆MgN₄O₈

Molecular Weight

334.48 g/mol

InChI Key

QWLHYYKDLOVBNV-UHFFFAOYSA-L

FDA UNII

GI96W46M5A

Magnesium orotate is a magnesium salt of orotic acid and is poorly soluble in water. It is a source of magnesium and is used as a mineral supplement to treat Mg deficiency. Orotic acid acts as a transporter that carries magnesium into the cells. It also exhibits antioxidant properties, since it is a key intermediate in the biosynthetic pathway of pyrimidines that promotes the synthesis of enzymes which act as free radical scavengers. Experiments investigating the potential cardioprotective actions of orotic acid in pathological heart conditions are still ongoing.

1 2D Structure

Magnesium Orotate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

magnesium;2,4-dioxo-1H-pyrimidine-6-carboxylate

2.1.2 InChI

InChI=1S/2C5H4N2O4.Mg/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2

2.1.3 InChI Key

QWLHYYKDLOVBNV-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C1=C(NC(=O)NC1=O)C(=O)[O-].C1=C(NC(=O)NC1=O)C(=O)[O-].[Mg+2]

2.2 Other Identifiers

2.2.1 UNII

GI96W46M5A

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 34717-03-8

2. Orotate Magnesium

3. Magnesium;2,4-dioxo-1h-pyrimidine-6-carboxylate

4. Orotic Acid, Magnesium Salt

5. Gi96w46m5a

6. Magnesium Bis(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate)

7. Bis(1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylato-n3,o4)magnesium

8. 27067-77-2

9. Unii-gi96w46m5a

10. Einecs 252-167-6

11. Schembl159382

12. Chembl3707282

13. Dtxsid20905129

14. Magnesium Orotate [who-dd]

15. Akos005267180

16. Ac-7503

17. Db13786

18. Magnesium, Bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-.kappa.n3,.kappa.o4)-, (t-4)-

19. Ft-0682956

20. A822363

21. Q9053193

22. Magnesium 2,6-dioxo-3h-pyrimidine-4-carboxylate

23. 1h-azepine,1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-

24. Magnesium, Bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-kappan3,kappao4)-, (t-4)-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₆MgN₄O₈
Molecular Weight	334.48 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	334.0036049 g/mol
Monoisotopic Mass	334.0036049 g/mol
Topological Polar Surface Area	197 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	262
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