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    Pamabrom

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    2D Structure
    Also known as: 606-04-2, Pamabrom [usan:usp], Ua8u0kjm72, 606-04-2 (salt), 8-bromotheophylline compound with 2-amino-2-methyl-1-propanol (1:1), 8-bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione compound with 2-amino-2-methylpropan-1-ol (1:1)
    Molecular Formula
    C11H18BrN5O3
    Molecular Weight
    348.20  g/mol
    InChI Key
    ATOTUUBRFJHZQG-UHFFFAOYSA-N
    FDA UNII
    UA8U0KJM72
    Pamabrom is a mixture containing 2-amino-2-methyl-1-propanol and 8-bromotheophylline (a methylxanthine) in a 1:1 ratio, with mild diuretic activity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione
    2.1.2 InChI
    InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
    2.1.3 InChI Key
    ATOTUUBRFJHZQG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br
    2.2 Other Identifiers
    2.2.1 UNII
    UA8U0KJM72
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-amino-2-methyl-1-propanol-8-bromotheophyllinate

    2. Maximum Strength Aqua-ban

    2.3.2 Depositor-Supplied Synonyms

    1. 606-04-2

    2. Pamabrom [usan:usp]

    3. Ua8u0kjm72

    4. 606-04-2 (salt)

    5. 8-bromotheophylline Compound With 2-amino-2-methyl-1-propanol (1:1)

    6. 8-bromo-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione Compound With 2-amino-2-methylpropan-1-ol (1:1)

    7. 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7h-purine-2,6-dione

    8. 8-bromo-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione Compound With 2-amino-2-methyl-1-propanol (1:1)

    9. Pamabrom [usan]

    10. 2-amino-2-methylpropanol 8-bromotheophyllinate

    11. Unii-ua8u0kjm72

    12. Backaid

    13. Pamabrom (usp)

    14. Einecs 210-103-4

    15. Pamabrom [mi]

    16. Pamabrom [vandf]

    17. Pamabrom [mart.]

    18. Pamabrom [who-dd]

    19. Schembl92712

    20. Chembl2104825

    21. Pamabrom [usp Monograph]

    22. Dtxsid80209397

    23. Mfcd00867328

    24. S5555

    25. Akos016339632

    26. Ccg-213575

    27. Cs-1106

    28. Db11106

    29. Ks-5228

    30. As-11777

    31. Hy-17391

    32. Db-053667

    33. Ft-0603488

    34. P2359

    35. D08962

    36. T72689

    37. 8-bromotheophylline 2-amino-2-methyl-1-propanol

    38. 606p042

    39. A832802

    40. Q7129023

    41. 8-bromo-1,3-dimethyl-3,9-dihydro-purine-2,6-dione

    42. 2-amino-2-methylpropanol-1-8-bromotheophyllinate

    43. 8-bromo-1,3-dimethyl-1h-purine-2,6(3h,7h)-dione Compound With 2-amino-2-methylpropan-1-ol (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 348.20 g/mol
    Molecular Formula C11H18BrN5O3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass347.05930 g/mol
    Monoisotopic Mass347.05930 g/mol
    Topological Polar Surface Area116 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity340
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2