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

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    Guarana

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Veranova: A CDMO that manages complexity with confidence.

    Axplora- The partner of choice for complex APIs.

    2D Structure
    1. Also known as: 30958-52-2, Mls000737994, 5436-38-4, 8-morpholino-caffeine, 1,3,7-trimethyl-8-morpholino-1h-purine-2,6(3h,7h)-dione, Smr000104554
    Molecular Formula
    C12H17N5O3
    Molecular Weight
    279.30  g/mol
    InChI Key
    LZQBJEYAJKIENE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,3,7-trimethyl-8-morpholin-4-ylpurine-2,6-dione
    2.1.2 InChI
    InChI=1S/C12H17N5O3/c1-14-8-9(15(2)12(19)16(3)10(8)18)13-11(14)17-4-6-20-7-5-17/h4-7H2,1-3H3
    2.1.3 InChI Key
    LZQBJEYAJKIENE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C2=C(N=C1N3CCOCC3)N(C(=O)N(C2=O)C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 30958-52-2

    2. Mls000737994

    3. 5436-38-4

    4. 8-morpholino-caffeine

    5. 1,3,7-trimethyl-8-morpholino-1h-purine-2,6(3h,7h)-dione

    6. Smr000104554

    7. Nsc21709

    8. 8-morpholinocaffeine

    9. Guarana Seed P.e.

    10. Cambridge Id 5849104

    11. Oprea1_085265

    12. Oprea1_306848

    13. Mls000108600

    14. F1070-0203

    15. Chembl1446123

    16. Dtxsid20184937

    17. Hms2167j16

    18. Hms3316b01

    19. Zinc110365

    20. 1,3,7-trimethyl-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione

    21. Nsc-21709

    22. Stk089110

    23. Akos000677931

    24. Vu0229545-4

    25. Ab00099201-01

    26. Sr-01000469703

    27. Sr-01000469703-1

    28. 1,3,7-trimethyl-8-morpholino-3,7-dihydro-1 H -purine-2,6-dione

    29. 1,3,7-trimethyl-8-(morpholin-4-yl)-3,7-dihydro-1h-purine-2,6-dione

    30. 1,3,7-trimethyl-8-morpholin-4-yl-3,7-dihydro-1h-purine-2,6-dione

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 279.30 g/mol
    Molecular Formula C12H17N5O3
    XLogP3-0.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass279.13313942 g/mol
    Monoisotopic Mass279.13313942 g/mol
    Topological Polar Surface Area70.9 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity425
    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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