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    Bufylline

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Bufylline, 5634-34-4, Butaphyllamine, Ambuphylline [usan], Theophylline-2-aminoisobutanol, Vou5v0b772
    Molecular Formula
    C11H19N5O3
    Molecular Weight
    269.30  g/mol
    InChI Key
    SEIRRUDMPNNSCY-UHFFFAOYSA-N
    FDA UNII
    VOU5V0B772
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione
    2.1.2 InChI
    InChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3
    2.1.3 InChI Key
    SEIRRUDMPNNSCY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC=N2
    2.2 Other Identifiers
    2.2.1 UNII
    VOU5V0B772
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bufylline

    2. Theophylline Aminoisobutanol

    2.3.2 Depositor-Supplied Synonyms

    1. Bufylline

    2. 5634-34-4

    3. Butaphyllamine

    4. Ambuphylline [usan]

    5. Theophylline-2-aminoisobutanol

    6. Vou5v0b772

    7. Theophylline Compound With 2-amino-2-methyl-1-propanol (1:1)

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

    9. Ambuphylline (usan)

    10. Buthoid

    11. 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7h-purine-2,6-dione

    12. Theophylline Aminoisobutanol

    13. Einecs 227-077-5

    14. Unii-vou5v0b772

    15. 1-propanol, 2-amino-2-methyl-, Compd. With Theophylline (1:1)

    16. Bufylline (ban)

    17. Butaphyllamine (tn)

    18. Theophylline, Compd. With 2-amino-2-methyl-1-propanol (1:1)

    19. Ambuphylline [mi]

    20. Bufylline [mart.]

    21. 3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione, Compound With 2-amino-2-methylpropan-1-ol (1:1)

    22. Ambuphylline [who-dd]

    23. Schembl355316

    24. Chembl2104089

    25. Dtxsid60204880

    26. Akos016340427

    27. Db13812

    28. Ks-1324

    29. Hy-105647

    30. Cs-0026398

    31. D02884

    32. 634t344

    33. Q4741993

    34. 1,3-dimethyl-1h-purine-2,6(3h,7h)-dione Compound With 2-amino-2-methylpropan-1-ol (1:1)

    35. 1,3-dimethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione; 2-amino-2-methylpropan-1-ol

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 269.30 g/mol
    Molecular Formula C11H19N5O3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass269.14878949 g/mol
    Monoisotopic Mass269.14878949 g/mol
    Topological Polar Surface Area116 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity310
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

    Bronchodilator Agents

    Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)

    4.2 ATC Code

    R - Respiratory system

    R03 - Drugs for obstructive airway diseases

    R03D - Other systemic drugs for obstructive airway diseases

    R03DA - Xanthines

    R03DA10 - Bufylline