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    Penehyclidine

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 151937-76-7, Penehyclidine hydrochloride, Penehyclidine hcl (mixture of isomers), Penehyclidine (hydrochloride), 0p1e1uf04i, 2-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-cyclopentyl-1-phenylethanol;hydrochloride
    Molecular Formula
    C20H30ClNO2
    Molecular Weight
    351.9  g/mol
    InChI Key
    DDTVVMRZNVIVQM-UHFFFAOYSA-N
    FDA UNII
    0P1E1UF04I
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-cyclopentyl-1-phenylethanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H29NO2.ClH/c22-20(18-8-4-5-9-18,17-6-2-1-3-7-17)15-23-19-14-21-12-10-16(19)11-13-21;/h1-3,6-7,16,18-19,22H,4-5,8-15H2;1H
    2.1.3 InChI Key
    DDTVVMRZNVIVQM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(C1)C(COC2CN3CCC2CC3)(C4=CC=CC=C4)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    0P1E1UF04I
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (rs')-isomer Of 3-(2'-phenyl-2'-cyclopentyl-2'-hydroxyethoxy)quinuclidine

    2. (sr') Isomer Of 3-(2'-phenyl-2'-cyclopentyl-2'-hydroxyethoxy)quinuclidine

    3. (ss') Isomer Of 3-(2'-phenyl-2'-cyclopentyl-2'-hydroxyethoxy)quinuclidine

    4. 3-(2'-phenyl-2'-cyclopentyl-2'-hydroxyethoxy)quinuclidine

    5. 3-pcheq

    2.3.2 Depositor-Supplied Synonyms

    1. 151937-76-7

    2. Penehyclidine Hydrochloride

    3. Penehyclidine Hcl (mixture Of Isomers)

    4. Penehyclidine (hydrochloride)

    5. 0p1e1uf04i

    6. 2-(1-azabicyclo[2.2.2]octan-3-yloxy)-1-cyclopentyl-1-phenylethanol;hydrochloride

    7. 1-cyclopentyl-1-phenyl-2-(quinuclidin-3-yloxy)ethanol Hydrochloride

    8. Pche

    9. Starbld0001629

    10. Unii-0p1e1uf04i

    11. Dtxsid90934385

    12. Bcp13685

    13. Hy-137976

    14. Penehyclidine Hydrochloride [who-dd]

    15. Cs-0143447

    16. Penequine Hydrochloride;penehyclidine Hydrochloride

    17. 1-cyclopentyl-1-phenyl-2-(quinuclidin-3-yloxy)ethan-1-ol Hydrochloride

    18. Benzenemethanol,a-((1-azabicyclo(2.2.2)oct-3-yloxy)methyl)-a-cyclopentyl-,hcl

    19. 2-[(1-azabicyclo[2.2.2]octan-3-yl)oxy]-1-cyclopentyl-1-phenylethan-1-ol--hydrogen Chloride (1/1)

    20. Benzenemethanol, .alpha.-((1-azabicyclo(2.2.2)oct-3-yloxy)methyl)-.alpha.-cyclopentyl-, Hydrochloride

    21. Benzenemethanol, .alpha.-((1-azabicyclo(2.2.2)oct-3-yloxy)methyl)-.alpha.-cyclopentyl-, Hydrochloride (1:1)

    22. Benzenemethanol, Alpha-((1-azabicyclo(2.2.2)oct-3-yloxy)methyl)-alpha-cyclopentyl-, Hydrochloride

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 351.9 g/mol
    Molecular Formula C20H30ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass351.1965069 g/mol
    Monoisotopic Mass351.1965069 g/mol
    Topological Polar Surface Area32.7 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity381
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2