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Clidinium

Synopsis, Chemistry

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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

Clidinium

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 Formula	C₂₂H₂₆BrNO₃
Molecular Weight	432.3 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	431.10961 g/mol
Monoisotopic Mass	431.10961 g/mol
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	482
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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.)

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