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    Zinc Orotate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 41Xls

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    2D Structure
    Also known as: 68399-76-8, 60388-02-5, 4-pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, zinc salt (2:1), Zinc;2,4-dioxo-1h-pyrimidine-6-carboxylate, Orotic acid zinc salt dihydrate, Zinc 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)
    Molecular Formula
    C10H6N4O8Zn
    Molecular Weight
    375.6  g/mol
    InChI Key
    YNMDOZLVAPMCBD-UHFFFAOYSA-L
    FDA UNII
    Z722242H10
    An intermediate product in PYRIMIDINE synthesis which plays a role in chemical conversions between DIHYDROFOLATE and TETRAHYDROFOLATE.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    zinc;2,4-dioxo-1H-pyrimidine-6-carboxylate
    2.1.2 InChI
    InChI=1S/2C5H4N2O4.Zn/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
    YNMDOZLVAPMCBD-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-].[Zn+2]
    2.2 Other Identifiers
    2.2.1 UNII
    Z722242H10
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acid, Orotic

    2. Orotate, Potassium

    3. Orotate, Sodium

    4. Orotate, Zinc

    5. Orotic Acid

    6. Potassium Orotate

    7. Sodium Orotate

    2.3.2 Depositor-Supplied Synonyms

    1. 68399-76-8

    2. 60388-02-5

    3. 4-pyrimidinecarboxylic Acid, 1,2,3,6-tetrahydro-2,6-dioxo-, Zinc Salt (2:1)

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

    5. Orotic Acid Zinc Salt Dihydrate

    6. Zinc 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)

    7. Z722242h10

    8. Unii-z722242h10

    9. Einecs 262-207-4

    10. Einecs 269-988-0

    11. Zinc Diorotate

    12. Orotate Zinc

    13. Zinc Orotate 17% 40m

    14. Schembl231367

    15. Zinc Orotate [who-dd]

    16. Dtxsid8071481

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

    18. Mfcd00039121

    19. Ft-0641183

    20. Q27295098

    21. 4-pyrimidinecarboxylic Acid, 1,2,3,6-tetrahydro-2,6-dioxo-, Zinc Complex

    22. Zinc, Bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-n3,o4)-, (t-4)-

    23. Zinc,bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-kn3,ko4)-,(t-4)-

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

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 375.6 g/mol
    Molecular Formula C10H6N4O8Zn
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count0
    Exact Mass373.947705 g/mol
    Monoisotopic Mass373.947705 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