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2D Structure
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

1 2D Structure

2D Structure

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