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    Technical details about CAS 461648-39-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 461648-39-5

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    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 461648-39-5, 1-azabicyclo[2.2.2]oct-4-yl(diphenyl)methanol, (1-azabicyclo[2.2.2]oct-4-yl)(diphenyl)methanol, Diphenyl(4-quinuclidinyl)methanol, 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol, Mfcd03257303
    Molecular Formula
    C20H23NO
    Molecular Weight
    293.4  g/mol
    InChI Key
    VUUAKOZGGDHCRP-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol
    2.1.2 InChI
    InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-11-14-21(15-12-19)16-13-19/h1-10,22H,11-16H2
    2.1.3 InChI Key
    VUUAKOZGGDHCRP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN2CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 461648-39-5

    2. 1-azabicyclo[2.2.2]oct-4-yl(diphenyl)methanol

    3. (1-azabicyclo[2.2.2]oct-4-yl)(diphenyl)methanol

    4. Diphenyl(4-quinuclidinyl)methanol

    5. 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol

    6. Mfcd03257303

    7. Oprea1_569800

    8. Schembl3984030

    9. Chembl1186757

    10. Chembopharma Kb-64884

    11. 1-azabicyclo[2.2.2]octane-4-methanol, Alpha,alpha-diphenyl-

    12. Amy30048

    13. Bcp14258

    14. Cs-m1579

    15. Stk177311

    16. Zinc27910809

    17. Akos027339741

    18. Sb17913

    19. Cs-13098

    20. Sy249699

    21. F11916

    22. 1-azabicyclo[2.2.2]oct -4-yl(diphenyl)methanol

    23. A919126

    24. 1-azabicyclo[2.2.2]octane-4-methanol, ,-diphenyl-

    25. 1-azabicyclo[2.2.2]octane-4-methanol,a,a-diphenyl-

    26. 1-azabicyclo[2.2.2]octane-4-methanol, A,a-diphenyl-

    2.3 Create Date
    2008-02-20
    3 Chemical and Physical Properties
    Molecular Weight 293.4 g/mol
    Molecular Formula C20H23NO
    XLogP33.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass293.177964357 g/mol
    Monoisotopic Mass293.177964357 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity341
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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