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Also known as: 25333-42-0, (r)-quinuclidin-3-ol, (3r)-1-azabicyclo[2.2.2]octan-3-ol, (r)-3-quinuclidinol, (3r)-quinuclidin-3-ol, 3-quinuclidinol l-form
Molecular Formula
C7H13NO
Molecular Weight
127.18  g/mol
InChI Key
IVLICPVPXWEGCA-ZETCQYMHSA-N
FDA UNII
19XL022LM3

CAS 25333-42-0
1 2D Structure

CAS 25333-42-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R)-1-azabicyclo[2.2.2]octan-3-ol
2.1.2 InChI
InChI=1S/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2/t7-/m0/s1
2.1.3 InChI Key
IVLICPVPXWEGCA-ZETCQYMHSA-N
2.1.4 Canonical SMILES
C1CN2CCC1C(C2)O
2.1.5 Isomeric SMILES
C1CN2CCC1[C@H](C2)O
2.2 Other Identifiers
2.2.1 UNII
19XL022LM3
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 25333-42-0

2. (r)-quinuclidin-3-ol

3. (3r)-1-azabicyclo[2.2.2]octan-3-ol

4. (r)-3-quinuclidinol

5. (3r)-quinuclidin-3-ol

6. 3-quinuclidinol L-form

7. C7h13no

8. 3(r)-quinuclidinol

9. (r)-3-quinuclidol

10. 3-(r)-quinuclidinol

11. 1-azabicyclo[2.2.2]octan-3-ol, (3r)-

12. (r)-(-)-quinuclidin-3-ol

13. 19xl022lm3

14. L-3-quinuclidinol

15. (-)-3-quinuclidinol

16. (r)-(-)-1-azabicyclo[2.2.2]octan-3-ol

17. 1-azabicyclo(2.2.2)octan-3-ol, (3r)-

18. (r)-(-)-1-azabicyclo(2.2.2)octan-3-ol

19. R-(-)-3-quinuclidinol

20. 3-quinuclidinol, (-)-

21. (r)-3-hydroxyquinuclidine

22. Unii-19xl022lm3

23. Einecs 246-857-6

24. (?)-3-qinuclidinol

25. (3r)-3-quinuclidinol

26. (r)-quinuclidine-3-ol

27. (r) -quinuclidin-3-ol

28. (r)-(3)-quinuclidinol

29. 3-quinuclidinol R Isomer

30. 3-(r)-hydroxyquinuclidine

31. Ec 246-857-6

32. 3-(r)-hydroxy-quinuclidine

33. Schembl71473

34. R-(-)-3-hydroxyquinuclidine

35. (3r)-(-)-quinuclidin-3-ol

36. Schembl21087936

37. Naronapride Metabolite M5

38. Dtxsid50179977

39. (1s,3r,4s)-quinuclidin-3-ol

40. Zinc158080

41. Amy39446

42. Bcp10791

43. Cs-b0280

44. 3-quinuclidinol L-form [mi]

45. Mfcd00211251

46. Mfcd13191732

47. Akos005255229

48. Akos015907653

49. Ac-4632

50. (r)-1-azabicyclo[2.2.2]octan-3-ol

51. As-11397

52. R-(-)-azabicyclo[2.2.2]octane-3-ol

53. (r)-1-aza-bicyclo[2.2.2]octan-3-ol

54. R-(-)-quinuclidin-3-ol; Nsc 93905

55. Db-001109

56. 3-(r)-hydroxy-1-azabicyclo[2.2.2]octane

57. C3422

58. (3r)-3-hydroxy-1-azabicyclo[2.2.2]octane

59. (r)-quinuclidin-3-ol;(r)-3-quinuclidinol

60. R-(-)-3-hydroxy-1-azabicyclo[2.2.2]octane

61. 437q967

62. Q-101002

63. Q27252136

64. (3r)-1-azabicyclo[2.2.2]octan-3-ol ((3r)-3-quinuclidinol)

2.4 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 127.18 g/mol
Molecular Formula C7H13NO
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass127.099714038 g/mol
Monoisotopic Mass127.099714038 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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