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    Nufenoxole

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 57726-65-5, Sc-27166, Sc 27166, 39er7n857v, 2-(3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl)-2-azabicyclo(2.2.2)octane, 2-azabicyclo(2.2.2)octane, 2-(3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl)-
    Molecular Formula
    C25H29N3O
    Molecular Weight
    387.5  g/mol
    InChI Key
    CVOCKGAVXLCEGM-UHFFFAOYSA-N
    FDA UNII
    39ER7N857V
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[3-(2-azabicyclo[2.2.2]octan-2-yl)-1,1-diphenylpropyl]-5-methyl-1,3,4-oxadiazole
    2.1.2 InChI
    InChI=1S/C25H29N3O/c1-19-26-27-24(29-19)25(21-8-4-2-5-9-21,22-10-6-3-7-11-22)16-17-28-18-20-12-14-23(28)15-13-20/h2-11,20,23H,12-18H2,1H3
    2.1.3 InChI Key
    CVOCKGAVXLCEGM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NN=C(O1)C(CCN2CC3CCC2CC3)(C4=CC=CC=C4)C5=CC=CC=C5
    2.2 Other Identifiers
    2.2.1 UNII
    39ER7N857V
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Sc-27166

    2.3.2 Depositor-Supplied Synonyms

    1. 57726-65-5

    2. Sc-27166

    3. Sc 27166

    4. 39er7n857v

    5. 2-(3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl)-2-azabicyclo(2.2.2)octane

    6. 2-azabicyclo(2.2.2)octane, 2-(3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3-diphenylpropyl)-

    7. Nufenoxolum

    8. Nufenoxol

    9. Searle 27166

    10. Nufenoxol [inn-spanish]

    11. Nufenoxolum [inn-latin]

    12. 2-(3-(2-azabicyclo[2.2.2]octan-2-yl)-1,1-diphenylpropyl)-5-methyl-1,3,4-oxadiazole

    13. Brn 0939075

    14. Nufenoxole [usan:inn:ban]

    15. Unii-39er7n857v

    16. 2-[3-(2-azabicyclo[2.2.2]octan-2-yl)-1,1-diphenylpropyl]-5-methyl-1,3,4-oxadiazole

    17. Nufenoxole [inn]

    18. Nufenoxole (usan/inn)

    19. Nufenoxole [usan]

    20. 2-(3,3-diphenyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propyl)-2-azabicyclo(2.2.2)octane

    21. Schembl121031

    22. Chembl3989894

    23. Dtxsid80206427

    24. Zinc4217195

    25. D05211

    26. Q27256892

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 387.5 g/mol
    Molecular Formula C25H29N3O
    XLogP35.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass387.231062557 g/mol
    Monoisotopic Mass387.231062557 g/mol
    Topological Polar Surface Area42.2 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity502
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1