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    CAS 34583-34-1

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 34583-34-1, (s)-quinuclidin-3-ol, (3s)-quinuclidin-3-ol, (s)-3-quinuclidinol, (s)-3-hydroxyquinuclidine, (3s)-1-azabicyclo[2.2.2]octan-3-ol
    Molecular Formula
    C7H13NO
    Molecular Weight
    127.18  g/mol
    InChI Key
    IVLICPVPXWEGCA-SSDOTTSWSA-N
    FDA UNII
    2XEB6A770I
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-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-/m1/s1
    2.1.3 InChI Key
    IVLICPVPXWEGCA-SSDOTTSWSA-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
    2XEB6A770I
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 34583-34-1

    2. (s)-quinuclidin-3-ol

    3. (3s)-quinuclidin-3-ol

    4. (s)-3-quinuclidinol

    5. (s)-3-hydroxyquinuclidine

    6. (3s)-1-azabicyclo[2.2.2]octan-3-ol

    7. S-3-quinuclidinol

    8. (s)-3-quinuclidol

    9. S-(+)-3-quinuclidinol

    10. 3-quinuclidinol, (+)-

    11. 2xeb6a770i

    12. (+)-3-quinuclidinol

    13. 1-azabicyclo(2.2.2)octan-3-ol, (3s)-

    14. 1-azabicyclo[2.2.2]octan-3-ol, (3s)-

    15. (s)-(+)-1-azabicyclo(2.2.2)octan-3-ol

    16. L-3-quinuclidinol

    17. (-)-3-quinuclidinol

    18. Unii-2xeb6a770i

    19. S-quinuclidin-3-ol

    20. (3s)-3-quinuclidinol

    21. 3-(s)-hydroxy-quinuclidine

    22. Schembl74513

    23. (s)-(-)-quinuclidin-3-ol

    24. S-(+)-3-hydroxy Quinuclidine

    25. (3s)-(+)-quinuclidin-3-ol

    26. Zinc158082

    27. Cs-b0279

    28. Mfcd26142098

    29. Akos006343987

    30. Akos022172788

    31. (s)-1-azabicyclo[2.2.2]octan-3-ol

    32. Ac-26497

    33. Ac-26498

    34. Cs-13183

    35. (-)- (8ci)

    36. (3s)-3-hydroxy-1-azabicyclo[2.2.2]octane

    37. (s)-(-)-1-azabicyclo[2.2.2]octan-3-ol

    38. 583q341

    39. A852179

    40. W-202415

    41. Q27255758

    42. (3s)-1-azabicyclo[2.2.2]octan-3-ol ((3s)-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