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    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
    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 Weight 334.48 g/mol
    Molecular Formula C10H6MgN4O8
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count0
    Exact Mass334.0036049 g/mol
    Monoisotopic Mass334.0036049 g/mol
    Topological Polar Surface Area197 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity262
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    A - Alimentary tract and metabolism

    A12 - Mineral supplements

    A12C - Other mineral supplements

    A12CC - Magnesium

    A12CC09 - Magnesium orotate

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    27-Mar-2021
    23-Oct-2024
    KGS
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