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    Chemistry

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    Also known as: (r)-oxybutynin, Oxybutynin, (-)-, Oxybutynin, (r)-, Unii-5brq29uub7, Chebi:144552, 4-(diethylamino)but-2-yn-1-yl (2r)-cyclohexyl(hydroxy)phenylacetate
    Molecular Formula
    C22H31NO3
    Molecular Weight
    357.5  g/mol
    InChI Key
    XIQVNETUBQGFHX-QFIPXVFZSA-N
    FDA UNII
    5BRQ29UUB7
    Aroxybutynin
    1 2D Structure

    Aroxybutynin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(diethylamino)but-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
    2.1.2 InChI
    InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1
    2.1.3 InChI Key
    XIQVNETUBQGFHX-QFIPXVFZSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    5BRQ29UUB7
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. (r)-oxybutynin

    2. Oxybutynin, (-)-

    3. Oxybutynin, (r)-

    4. Unii-5brq29uub7

    5. Chebi:144552

    6. 4-(diethylamino)but-2-yn-1-yl (2r)-cyclohexyl(hydroxy)phenylacetate

    7. Refchem:199631

    8. 119618-21-2

    9. (-)-oxybutynin

    10. R-oxybutynin

    11. 4-(diethylamino)but-2-ynyl (2r)-2-cyclohexyl-2-hydroxy-2-phenylacetate

    12. 5brq29uub7

    13. Chembl185434

    14. (r)-oxybutynin Chloride

    15. Benzeneacetic Acid, Alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butyn-1-yl Ester, (alphar)-

    16. Aroxybutynina

    17. Aroxybutynine

    18. 4-(diethylamino)but-2-yn-1-yl (2s)-cyclohexyl(hydroxy)phenylacetate

    19. Aroxybutynin [inn]

    20. Oxybutynin Impurity 21

    21. Schembl25880

    22. Ad-109 Component Aroxybutynin

    23. Orb1688728

    24. Hy-b0267c

    25. Xiqvnetubqgfhx-qfipxvfzsa-n

    26. Bdbm50151858

    27. Da-69216

    28. Cs-0541950

    29. Q27122547

    30. (r)-4-(diethylamino)but-2-yn-1-yl2-cyclohexyl-2-hydroxy-2-phenylacetate

    31. 4-(diethylamino)but-2-yn-1-yl (r)-2-cyclohexyl-2-hydroxy-2-phenylacetate

    32. 4-(diethylamino)but-2-yn-1-yl (r)-cyclohexyl(hydroxy)(phenyl)acetate

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 357.5 g/mol
    Molecular Formula C22H31NO3
    XLogP34.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area49.8
    Heavy Atom Count26
    Formal Charge0
    Complexity490
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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