CAS 25333-42-0

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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

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 Formula	C₇H₁₃NO
Molecular Weight	127.18 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	127.099714038 g/mol
Monoisotopic Mass	127.099714038 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	108
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1