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    CAS 25333-42-0

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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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