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    CAS 63659-17-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 63659-17-6, 2-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane, [[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane, Betaxolol oxirane analog, Kfh7n7w7xh, Oxirane, ((4-(2-(cyclopropylmethoxy)ethyl)phenoxy)methyl)-
    Molecular Formula
    C15H20O3
    Molecular Weight
    248.32  g/mol
    InChI Key
    DQRZXLUCRJNWKV-UHFFFAOYSA-N
    FDA UNII
    KFH7N7W7XH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane
    2.1.2 InChI
    InChI=1S/C15H20O3/c1-2-13(1)9-16-8-7-12-3-5-14(6-4-12)17-10-15-11-18-15/h3-6,13,15H,1-2,7-11H2
    2.1.3 InChI Key
    DQRZXLUCRJNWKV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1COCCC2=CC=C(C=C2)OCC3CO3
    2.2 Other Identifiers
    2.2.1 UNII
    KFH7N7W7XH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 63659-17-6

    2. 2-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane

    3. [[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane

    4. Betaxolol Oxirane Analog

    5. Kfh7n7w7xh

    6. Oxirane, ((4-(2-(cyclopropylmethoxy)ethyl)phenoxy)methyl)-

    7. (2rs)-2-((4-(2-(cyclopropylmethoxy)ethyl)phenoxy)methyl)oxirane

    8. Oxirane, 2-((4-(2-(cyclopropylmethoxy)ethyl)phenoxy)methyl)-

    9. 2-({4-[2-(cyclopropylmethoxy)ethyl]phenoxy}methyl)oxirane

    10. 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2,3-epoxypropane

    11. 1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-2,3-epoxypropane

    12. 1-{4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy}-2,3-epoxypropane

    13. 1-(4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy)-2,3-epoxypropane

    14. Betaxolol Ep Impurity C

    15. Unii-kfh7n7w7xh

    16. Schembl3431470

    17. Dtxsid40472924

    18. Akos016003233

    19. Betaxolol Hydrochloride Impurity C [ep]

    20. Ft-0665394

    21. D87673

    22. Betaxolol Hydrochloride Impurity C [ep Impurity]

    23. 1-[4-(2-cyclopropylmethoxyethyl)phenoxy]-2,3-epoxypropane

    24. 1-[4-(2cyclopropylmethoxyethyl)phenoxy]-2,3-epoxypropane

    25. 1-[4-(2-cyclopropylmethoxy-ethyl)phenoxy]-2,3-epoxypropane

    26. 1- {4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy}-2,3-epoxypropane

    27. 1-[2-(cyclopropyl-methoxy)-ethyl]-4-(2,3-epoxypropoxy)-benzene

    28. 1-[2-(cyclopropyl-methoxy)ethyl]-4-(2,3-epoxypropoxy)-benzene

    29. 1-{(4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy)-2, 3-epoxypropane

    30. 1-{(4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy)-2,3-epoxypropane

    31. 2-({4-[2-(cyclopropylmethoxy)ethyl]phenoxymethyl)oxirane

    2.4 Create Date
    2006-10-27
    3 Chemical and Physical Properties
    Molecular Weight 248.32 g/mol
    Molecular Formula C15H20O3
    XLogP32.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count8
    Exact Mass248.14124450 g/mol
    Monoisotopic Mass248.14124450 g/mol
    Topological Polar Surface Area31 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity244
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1