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    Umeclidinium Bromide

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    2D Structure
    Also known as: 869113-09-7, Incruse ellipta, Gsk573719a, Umeclidinium (bromide), Anoro ellipta, 1-[2-(benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-quinuclidinium bromide
    Molecular Formula
    C29H34BrNO2
    Molecular Weight
    508.5  g/mol
    InChI Key
    PEJHHXHHNGORMP-UHFFFAOYSA-M
    FDA UNII
    7AN603V4JV
    Umeclidinium Bromide is the bromide salt form of umeclidinium, a muscarinic receptor antagonist, with bronchodilator activity. Although it does not display selectivity for specific muscarinic receptors, on topical application, umeclidinium acts mainly on M3 muscarinic receptors located on smooth muscle cells, thereby preventing smooth muscle contraction and resulting in bronchodilatory effect.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol;bromide
    2.1.2 InChI
    InChI=1S/C29H34NO2.BrH/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25;/h1-15,31H,16-24H2;1H/q+1;/p-1
    2.1.3 InChI Key
    PEJHHXHHNGORMP-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.[Br-]
    2.2 Other Identifiers
    2.2.1 UNII
    7AN603V4JV
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 869113-09-7

    2. Incruse Ellipta

    3. Gsk573719a

    4. Umeclidinium (bromide)

    5. Anoro Ellipta

    6. 1-[2-(benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-quinuclidinium Bromide

    7. Gsk-573719a

    8. 7an603v4jv

    9. Mfcd27976798

    10. 1-(2-(benzyloxy)ethyl)-4-(hydroxydiphenylmethyl)quinuclidin-1-ium Bromide

    11. Diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol Bromide

    12. Chembl523299

    13. Diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol;bromide

    14. Unii-7an603v4jv

    15. Umeclidinium Bromide [usan]

    16. Umeclidinium Brom

    17. Umeclidinium Bromide [usan:inn]

    18. Umeclidinii Bromidum

    19. 4-[hydroxy(diphenyl)methyl]-1-[2-[(phenylmethyl)oxy]ethyl]-1-azoniabicyclo[2.2.2]octane Bromide

    20. 4-[hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)oxy]ethyl}-1-azoniabicyclo[2.2.2]octane Bromide

    21. Umec

    22. Bromure D'umeclidinium

    23. Bromuro De Umeclidinio

    24. Incruse Ellipta (tn)

    25. Schembl109931

    26. Chebi:79040

    27. Dtxsid50235966

    28. Umeclidinium Bromide [mi]

    29. Umeclidinium Bromide (jan/usan)

    30. Hms3885a04

    31. Umeclidinium Bromide [inn]

    32. Umeclidinium Bromide [jan]

    33. Bcp11148

    34. Ex-a1683

    35. Umeclidinium Bromide [vandf]

    36. Umeclidinium Bromide [who-dd]

    37. Akos025404842

    38. Ccg-269761

    39. Cs-0874

    40. Sb16738

    41. Ac-30852

    42. As-57320

    43. Hy-12100

    44. Sy226333

    45. Umeclidinium Bromide [orange Book]

    46. Ft-0775078

    47. D10181

    48. A916880

    49. Q15624035

    50. Trelegy Ellipta Component Umeclidinium Bromide

    51. Umeclidinium Bromide Component Of Trelegy Ellipta

    52. 1-[2-(benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-quinuclidiniumbromide

    53. 1-(2-(benzyloxy)ethyl)-4-(hydroxydiphenylmethyl)-1-azoniabicyclo(2.2.2)octane Bromide

    54. 1-[2-(benzyloxy)ethyl]-4(hydroxydiphenylmethyl)-1-azoniabicyclo[2.2.2]octane Bromide

    55. 1-[2-(benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium Bromide

    56. 1-[2-(benzyloxy)ethyl]-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane Bromide

    57. 1-(2-((benzyl)oxy)ethyl)4-(hydroxydi(phenyl)methyl)-1-azabicyclo(2.2.2)octan-1-ium Bromide

    58. 1-azoniabicyclo(2.2.2)octane, 4-(hydroxydiphenylmethyl)-1-(2-(phenylmethoxy)ethyl)-, Bromide (1:1)

    59. Gsk-573719 Pound>> Gsk573719 Pound>> Gsk 573719 Pound>>gsk573719a;gsk-573719a;gsk 573719a

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 508.5 g/mol
    Molecular Formula C29H34BrNO2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count8
    Exact Mass507.17729 g/mol
    Monoisotopic Mass507.17729 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity543
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameIncruse ellipta
    PubMed HealthUmeclidinium (By breathing)
    Drug ClassesRespiratory Agent
    Active IngredientUmeclidinium bromide
    Dosage FormPowder
    RouteInhalation
    Strengtheq 62.5mcg base/inh
    Market StatusPrescription
    CompanyGlaxo Grp England

    2 of 2  
    Drug NameIncruse ellipta
    PubMed HealthUmeclidinium (By breathing)
    Drug ClassesRespiratory Agent
    Active IngredientUmeclidinium bromide
    Dosage FormPowder
    RouteInhalation
    Strengtheq 62.5mcg base/inh
    Market StatusPrescription
    CompanyGlaxo Grp England

    4.2 Drug Indication

    Rolufta is indicated as a maintenance bronchodilator treatment to relieve symptoms in adult patients with chronic obstructive pulmonary disease (COPD).

    Indicated as a maintenance bronchodilator treatment to relieve symptoms in adult patients with chronic obstructive pulmonary disease (COPD).

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    R03BB07

    R03BB07

    R03BB07

    S76 | LUXPHARMA | Pharmaceuticals Marketed in Luxembourg | Pharmaceuticals marketed in Luxembourg, as published by d'Gesondheetskeess (CNS, la caisse nationale de sante, www.cns.lu), mapped by name to structures using CompTox by R. Singh et al. (in prep.). List downloaded from https://cns.public.lu/en/legislations/textes-coordonnes/liste-med-comm.html. Dataset DOI:10.5281/zenodo.4587355

    R - Respiratory system

    R03 - Drugs for obstructive airway diseases

    R03B - Other drugs for obstructive airway diseases, inhalants

    R03BB - Anticholinergics

    R03BB07 - Umeclidinium bromide