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    Technical details about 1-Methyluric Acid, learn more about the structure, uses, toxicity, action, side effects and more

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    1-Methyluric Acid

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    2D Structure
    1. Also known as: 708-79-2, 1-methyl-2,6,8-trihydroxypurine, 1-methylurate, 1-methyl-1h-purine-2,6,8(3h,7h,9h)-trione, 1-methyl-7,9-dihydro-3h-purine-2,6,8-trione, 1-methyl-7,9-dihydro-1h-purine-2,6,8(3h)-trione
    Molecular Formula
    C6H6N4O3
    Molecular Weight
    182.14  g/mol
    InChI Key
    QFDRTQONISXGJA-UHFFFAOYSA-N
    FDA UNII
    2WS4HQ639J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-methyl-7,9-dihydro-3H-purine-2,6,8-trione
    2.1.2 InChI
    InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)
    2.1.3 InChI Key
    QFDRTQONISXGJA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C(=O)C2=C(NC(=O)N2)NC1=O
    2.2 Other Identifiers
    2.2.1 UNII
    2WS4HQ639J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-methylurate

    2.3.2 Depositor-Supplied Synonyms

    1. 708-79-2

    2. 1-methyl-2,6,8-trihydroxypurine

    3. 1-methylurate

    4. 1-methyl-1h-purine-2,6,8(3h,7h,9h)-trione

    5. 1-methyl-7,9-dihydro-3h-purine-2,6,8-trione

    6. 1-methyl-7,9-dihydro-1h-purine-2,6,8(3h)-trione

    7. 2ws4hq639j

    8. Chebi:68441

    9. Unii-2ws4hq639j

    10. 7,9-dihydro-1-methyl-1h-purine-2,6,8(3h)-trione

    11. Einecs 211-905-7

    12. Mfcd00042987

    13. Uric Acid, 1-methyl-

    14. Chembl793

    15. Schembl235671

    16. 1h-purine-2,6,8(3h)-trione,7,9-dihydro-1-methyl-

    17. 1h-purine-2,6,8(3h)-trione, 7,9-dihydro-1-methyl-

    18. Dtxsid70221063

    19. Zinc1845780

    20. Akos027320548

    21. Cs-w010747

    22. Hy-w010031

    23. 1-methyluric Acid, >=98.0% (hplc)

    24. Db-081567

    25. Ft-0672361

    26. Ft-0672362

    27. W-203591

    28. Q27136940

    29. 1-methyl-2,3,6,7,8,9-hexahydro-1h-purine-2,6,8-trione

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 182.14 g/mol
    Molecular Formula C6H6N4O3
    XLogP3-0.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass182.04399007 g/mol
    Monoisotopic Mass182.04399007 g/mol
    Topological Polar Surface Area90.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity359
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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