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    Acebrophylline

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Ambroxol acefyllinate, Ambromucil, Broncomnes, Surfolase, 96989-76-3, Ambroxol theophyllinacetate
    Molecular Formula
    C22H28Br2N6O5
    Molecular Weight
    616.3  g/mol
    InChI Key
    IPUHJDQWESJTGD-UHFFFAOYSA-N
    FDA UNII
    0HM1E174TN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
    2.1.2 InChI
    InChI=1S/C13H18Br2N2O.C9H10N4O4/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h5-6,10-11,17-18H,1-4,7,16H2;4H,3H2,1-2H3,(H,14,15)
    2.1.3 InChI Key
    IPUHJDQWESJTGD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    0HM1E174TN
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ambroxol-theophylline-7-acetate

    2.3.2 Depositor-Supplied Synonyms

    1. Ambroxol Acefyllinate

    2. Ambromucil

    3. Broncomnes

    4. Surfolase

    5. 96989-76-3

    6. Ambroxol Theophyllinacetate

    7. 179118-73-1

    8. Ambroxol-theophylline-7-acetate

    9. Ambroxol Theophyllinate

    10. 0hm1e174tn

    11. 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic Acid

    12. Cyclohexanol, 4-(((2-amino-3,5-dibromophenyl)methyl)amino)-, Trans-, Mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7h-purine-7-acetate) (salt)

    13. Unii-0hm1e174tn

    14. Schembl1650322

    15. Chembl4297663

    16. Dtxsid60914235

    17. Glxc-26022

    18. Bcp28655

    19. Ambroxol Acefyllinate [mart.]

    20. Akos015899892

    21. Ambroxol Acefyllinate [who-dd]

    22. Db13141

    23. Ambroxol Theophyllinate [who-dd]

    24. Ambromucil Pound>>ambroxol-theophylline-7-acetate

    25. Q19607226

    26. (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)acetic Acid--4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol (1/1)

    27. 7h-purine-7-acetic Acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, Compd. With Trans-4-(((2-amino-3,5-dibromophenyl)methyl)amino)cyclohexanol (1:1)

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 616.3 g/mol
    Molecular Formula C22H28Br2N6O5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass616.04674 g/mol
    Monoisotopic Mass614.04879 g/mol
    Topological Polar Surface Area154 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity645
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2