Also known as: 1619-34-7, Quinuclidin-3-ol, 3-hydroxyquinuclidine, 1-azabicyclo[2.2.2]octan-3-ol, Quinuclidinol, 1-aza-bicyclo[2.2.2]octan-3-ol

Molecular Formula

C₇H₁₃NO

Molecular Weight

127.18 g/mol

InChI Key

IVLICPVPXWEGCA-UHFFFAOYSA-N

FDA UNII

974MVZ0WOK

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.3 InChI Key

IVLICPVPXWEGCA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN2CCC1C(C2)O

2.2 Other Identifiers

2.2.1 UNII

974MVZ0WOK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1619-34-7

2. Quinuclidin-3-ol

3. 3-hydroxyquinuclidine

4. 1-azabicyclo[2.2.2]octan-3-ol

5. Quinuclidinol

6. 1-aza-bicyclo[2.2.2]octan-3-ol

7. 3-hydroxy-1-azabicyclo[2.2.2]octane

8. (+-)-3-quinuclidinol

9. 1-azabicyclo(2.2.2)octan-3-ol

10. Quinuclidine-3-ol

11. Nsc 93905

12. 974mvz0wok

13. Chembl276310

14. Chebi:115239

15. Nsc-93905

16. 3-quinuclidinol Dl-form

17. 3-hydroxy Quinuclidine

18. Einecs 216-578-4

19. Unii-974mvz0wok

20. Brn 0104327

21. Quinuclidone-3

22. 3-quinuclidol

23. Quinuclidinol-3

24. Hsdb 7710

25. 3-oxyquinuclidine

26. 3-hydroxychinuclidin

27. 3-hydroxy Chinuclidin

28. (rs) 3-quinuclidinol

29. (rs)-3-quinuclidinol

30. (+/-)3-quinuclidinol

31. (rac.)-3-quinuclidinol

32. 3-quinuclidinol, 99%

33. Racemic Quinuclidin-3-ol

34. (+/-)-3-quinuclidinol

35. Schembl66150

36. 3684-26-2

37. 3-quinuclidinol, Dl-

38. Dtxsid50862716

39. Cs-b0695

40. Nsc93905

41. 1-azabicyclo[2.2.2.]octan-3-ol

42. Bdbm50047005

43. Mfcd00151326

44. 3-quinuclidinol, (+/-)-

45. 3-quinuclidinol Dl-form [mi]

46. Akos009158263

47. Aza-bicyclo[2.2.2]oct-3-yl Alcohol

48. Ab87536

49. Ps-5754

50. Sb13175

51. Sdccgmls-0065888.p001

52. 3-hydroxyquinuclidine, (+/-)-

53. 3-hydroxy-1-azoniabicyclo[2.2.2]octane

54. Db-043508

55. Db-082764

56. Ft-0615867

57. Ft-0650672

58. Ft-0689777

59. Q0024

60. 1-azabicyclo[2.2.2]octan-3-ol,hydrochloride

61. En300-77008

62. F11430

63. A810307

64. W-201469

65. 1-aza-bicyclo[2.2.2]octan-3-ol (3-quinuclidinol)

66. Q27197086

2.4 Create Date

2005-03-26

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	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

3-Quinuclidinol (Q) and benzilic acid (BA) /are the 2 major metabolites of 3-quinuclidinyl benzilate/.

PMID:1522714 Byrd GD et al; J Anal Toxicol 16 (3): 182-7 (1992)

CAS 1619 –34 –7

CAS 1619 –34 –7

CHEMISTRY

Discover Molecule Insights

Filters