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    CAS 42437-96-7

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    CAS 42437-96-7
    Also known as: 42437-96-7, (r)-(-)-3-quinuclidinol hydrochloride, (r)-quinuclidin-3-ol hydrochloride, (3r)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride, Schembl731086, 3-quinu-clidinol hydrochloride
    Molecular Formula
    C7H14ClNO
    Molecular Weight
    163.64  g/mol
    InChI Key
    OYEJRVVBERZWPD-FJXQXJEOSA-N
    1 2D Structure

    CAS 42437-96-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H13NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6-7,9H,1-5H2;1H/t7-;/m0./s1
    2.1.3 InChI Key
    OYEJRVVBERZWPD-FJXQXJEOSA-N
    2.1.4 Canonical SMILES
    C1CN2CCC1C(C2)O.Cl
    2.1.5 Isomeric SMILES
    C1CN2CCC1[C@H](C2)O.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 42437-96-7

    2. (r)-(-)-3-quinuclidinol Hydrochloride

    3. (r)-quinuclidin-3-ol Hydrochloride

    4. (3r)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride

    5. Schembl731086

    6. 3-quinu-clidinol Hydrochloride

    7. Dtxsid00584193

    8. (r)-quinuclidin-3-ol Hcl

    9. Amy40173

    10. (3r)-3-quinuclidinol Hydrochloride

    11. Mfcd00270837

    12. (r)-quinuclidin-3-ol (hydrochloride)

    13. Akos016004500

    14. Ac-24334

    15. Cs-0013355

    16. (r)-(-)-3-quinuclidinol Hydrochloride, 97%

    17. O10184

    18. Q-101003

    19. (3r)-1-azabicyclo[2.2.2]octan-3-ol--hydrogen Chloride (1/1)

    2.3 Create Date
    2007-07-16
    3 Chemical and Physical Properties
    Molecular Weight 163.64 g/mol
    Molecular Formula C7H14ClNO
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass163.0763918 g/mol
    Monoisotopic Mass163.0763918 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count10
    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 Count2
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