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    Technical details about CAS 1619-34-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1619 –34 –7

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    2D Structure
    1. 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 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 Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    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)

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