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    Bronchodil

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Bronchodil, Bronchospasmin, 13055-82-8, Asmaterolo, Reproterol hydrochloride [usan], W-2946m
    Molecular Formula
    C18H24ClN5O5
    Molecular Weight
    425.9  g/mol
    InChI Key
    XSFWDHONRBZVEJ-UHFFFAOYSA-N
    FDA UNII
    Y4I1COJ8W8
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
    2.1.2 InChI
    InChI=1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H
    2.1.3 InChI Key
    XSFWDHONRBZVEJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCC(C3=CC(=CC(=C3)O)O)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    Y4I1COJ8W8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bronchospasmin

    2. Epiferol

    3. Reproterol

    4. Reproterol Monohydrochloride

    5. Reproterol, (-)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. Bronchodil

    2. Bronchospasmin

    3. 13055-82-8

    4. Asmaterolo

    5. Reproterol Hydrochloride [usan]

    6. W-2946m

    7. D-1959.hcl

    8. Y4i1coj8w8

    9. 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione Monohydrochloride

    10. 13055-82-8 (hcl)

    11. 1h-purine-2,6-dione, 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-3,7-dihydro-1,3-dimethyl-, Monohydrochloride

    12. Reproterol Hydrochloride (usan)

    13. Reproterol Hcl

    14. 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione Hydrochloride

    15. 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione Monohydrochloride

    16. 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride

    17. D 1959 Hcl

    18. Einecs 235-942-3

    19. Unii-y4i1coj8w8

    20. Einecs 254-666-4

    21. Reproterolhydrochlorid

    22. D 1959 (-)

    23. 7-(3-((beta,3,5-trihydroxyphenethyl)amino)propyl)theophylline Monohydrochloride

    24. 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl)amino)propyl)theophylline Hydrochloride

    25. 1h-purine-2,6-dione, 3,7-dihydro-7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-1,3-dimethyl-, Monohydrochloride, (-)-

    26. 39878-37-0

    27. Schembl637198

    28. D-1959 Hydrochloride

    29. Chembl2104771

    30. Dtxsid60926797

    31. Reproterol Hydrochloride [mi]

    32. Akos022180842

    33. Reproterol Hydrochloride [mart.]

    34. Theophylline, 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-, Hydrochloride

    35. Reproterol Hydrochloride [who-dd]

    36. 62932-28-9

    37. 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione Hydrochloride

    38. D05718

    39. Q27294256

    40. 7-(3-((.beta.,3,5-trihydroxyphenethyl)amino)propyl)theophylline Monohydrochloride

    41. Theophylline, 7-(3-((.beta.,3,5-trihydroxyphenethyl)amino)propyl)-, Hydrochloride

    42. 1h-purine-2,6-dione, 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-3,7-dihydro-1,3-dimethyl-, Hydrochloride (1:1)

    43. 7-(3-{[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione--hydrogen Chloride (1/1)

    44. 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-d

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 425.9 g/mol
    Molecular Formula C18H24ClN5O5
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass425.1465966 g/mol
    Monoisotopic Mass425.1465966 g/mol
    Topological Polar Surface Area131 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity569
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Adrenergic beta-Agonists

    Drugs that selectively bind to and activate beta-adrenergic receptors. (See all compounds classified as Adrenergic beta-Agonists.)

    Bronchodilator Agents

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