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    clidinium, 1-(methyl-11C)-labeled

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    2D Structure
    Also known as: 3485-62-9, Quarzan, Clidinium (bromide), Ro 2-3773, Clidinii bromidum, 3-hydroxy-1-methylquinuclidinium bromide benzilate
    Molecular Formula
    C22H26BrNO3
    Molecular Weight
    432.3  g/mol
    InChI Key
    GKEGFOKQMZHVOW-UHFFFAOYSA-M
    FDA UNII
    91ZQW5JF1Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide
    2.1.2 InChI
    InChI=1S/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1
    2.1.3 InChI Key
    GKEGFOKQMZHVOW-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]
    2.2 Other Identifiers
    2.2.1 UNII
    91ZQW5JF1Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Clidinium

    2. Clidinium Iodide

    3. Clidinium Iodide, (+-)-isomer

    4. Clidinium Iodide, 11c-labeled

    5. Clidinium Iodide, 3h-labeled

    6. Clidinium, 1-(methyl-11c)-labeled

    7. Clidinium, 11c-labeled

    8. Clidinium, 3h-labeled

    9. N-methyl Quinuclidinyl Benzilate

    2.3.2 Depositor-Supplied Synonyms

    1. 3485-62-9

    2. Quarzan

    3. Clidinium (bromide)

    4. Ro 2-3773

    5. Clidinii Bromidum

    6. 3-hydroxy-1-methylquinuclidinium Bromide Benzilate

    7. Bromuro De Clidinio

    8. Bromure De Clidinium

    9. Quinuclidinol Methylbromide, Benzilate

    10. 1-methyl-3-(benziloyloxy)quinuclidinium Bromide

    11. 3-(benziloyloxy)-1-methylquinuclidinium Bromide

    12. Nsc-756686

    13. 91zqw5jf1z

    14. (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate;bromide

    15. Mls000028560

    16. 3-(2,2-diphenyl-2-hydroxyethanoyloxy)-quinuclidinium Bromide

    17. Ro-23773

    18. (+-)-3-hydroxy-1-methylquinuclidinium Bromide Benzilate

    19. Ro-2-3773

    20. Dsstox_cid_2835

    21. 1-azoniabicyclo[2.2.2]octane, 3-[(hydroxydiphenylacetyl)oxy]-1-methyl-,bromide

    22. Dsstox_rid_76750

    23. Dsstox_gsid_22835

    24. 1-azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-, Bromide

    25. 3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane Bromide

    26. Smr000058806

    27. Clidinii Bromidum [inn-latin]

    28. Bromure De Clidinium [inn-french]

    29. Bromuro De Clidinio [inn-spanish]

    30. Sr-01000000078

    31. Einecs 222-471-3

    32. Unii-91zqw5jf1z

    33. Clidiniumbromide

    34. Prestwick_71

    35. 1-methyl-3-benzil-oxyloxy-quinuclidinium Bromide

    36. Quarzan (tn)

    37. Quinuclidinium, 3-hydroxy-1-methyl-, Bromide, Benzilate

    38. Clidinium Bromide [usan:usp:inn:ban]

    39. Opera_id_114

    40. Ncgc00016630-01

    41. Cas-3485-62-9

    42. Schembl99017

    43. Schembl99018

    44. Mls001148169

    45. Mls002222158

    46. Clidinium Bromide (usp/inn)

    47. Spectrum1500192

    48. Regid_for_cid_19004

    49. Clidinium Bromide [mi]

    50. Chebi:3744

    51. Clidinium Bromide [inn]

    52. Chembl1200950

    53. Clidinium Bromide [usan]

    54. Dtxsid7022835

    55. Hms502c20

    56. Clidinium Bromide [vandf]

    57. Clidinium Bromide [mart.]

    58. Hms1570f05

    59. Hms1920o15

    60. Hms2091e22

    61. Hms2097f05

    62. Hms2230l12

    63. Hms3370h21

    64. Hms3714f05

    65. Hms3886o06

    66. Pharmakon1600-01500192

    67. Clidinium Bromide [usp-rs]

    68. Clidinium Bromide [who-dd]

    69. Hy-b1132

    70. Tox21_110535

    71. Ccg-38925

    72. Nsc756686

    73. Akos015895118

    74. Tox21_110535_1

    75. Clidinium Bromide [orange Book]

    76. Cs-4737

    77. Ks-1295

    78. Nsc 756686

    79. (1-methyl-1-azoniabicyclo[2.2.2]octan-8-yl) 2-hydroxy-2,2-diphenylacetate Bromide

    80. 1-azoniabicyclo(2.2.2)octane, 3-((hydroxydiphenylacetyl)oxy)-1-methyl-, Bromide, (+-)-

    81. Clidinium Bromide [usp Impurity]

    82. Clidinium Bromide [usp Monograph]

    83. Ncgc00018171-06

    84. Ncgc00094625-01

    85. Ncgc00094625-02

    86. Ncgc00094625-03

    87. Ncgc00094625-04

    88. Smr000058806clidinium Bromide

    89. Ac-13157

    90. Db-048690

    91. Ft-0634879

    92. D00716

    93. D82064

    94. A822441

    95. J-019784

    96. Sr-01000000078-2

    97. Sr-01000000078-4

    98. Q27106183

    99. 3-(2-hydroxy-2,2-diphenylacetoxy)-1-methylquinuclidin-1-iumbromide

    100. 3-(2-hydroxy-2,2-diphenylacetoxy)-1-methylquinuclidin-1-ium Bromide

    101. (1-methyl-1-azoniabicy-clo[2.2.2]oct-8-yl) 2-hydroxy-2,2-diphenyl-acetate Bro-mide

    102. (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate Bromide

    103. 3-(2-hydroxy-2,2-diphenylacetoxy)-1-methyl-1-azoniabicyclo[2.2.2]octane Bromide

    104. 1-azoniabicyclo(2.2.2)octane, 3-((2-hydroxy-2,2-diphenylacetyl)oxy)-1-methyl-, Bromide (1:1)

    105. 2-hydroxy-2,2-diphenylacetic Acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) Ester Bromide

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 432.3 g/mol
    Molecular Formula C22H26BrNO3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass431.10961 g/mol
    Monoisotopic Mass431.10961 g/mol
    Topological Polar Surface Area46.5 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity482
    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

    Parasympatholytics

    Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)