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    Alpibectir

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Alpibectir [inn], Cc5wux826w, Unii-cc5wux826w, 2285440-39-1, 4,4,4-trifluoro-1-(3-(trifluoromethyl)-1-oxa-2,8-diazaspiro(4.5)dec-2-en-8-yl)-1-butanone, 4,4,4-trifluoro-1-[2-(trifluoromethyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one
    Molecular Formula
    C12H14F6N2O2
    Molecular Weight
    332.24  g/mol
    InChI Key
    ZEAVKHMQTZBUND-UHFFFAOYSA-N
    FDA UNII
    CC5WUX826W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,4,4-trifluoro-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one
    2.1.2 InChI
    InChI=1S/C12H14F6N2O2/c13-11(14,15)2-1-9(21)20-5-3-10(4-6-20)7-8(19-22-10)12(16,17)18/h1-7H2
    2.1.3 InChI Key
    ZEAVKHMQTZBUND-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCC12CC(=NO2)C(F)(F)F)C(=O)CCC(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    CC5WUX826W
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Alpibectir [inn]

    2. Cc5wux826w

    3. Unii-cc5wux826w

    4. 2285440-39-1

    5. 4,4,4-trifluoro-1-(3-(trifluoromethyl)-1-oxa-2,8-diazaspiro(4.5)dec-2-en-8-yl)-1-butanone

    6. 4,4,4-trifluoro-1-[2-(trifluoromethyl)-4-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one

    7. 1-butanone, 4,4,4-trifluoro-1-(3-(trifluoromethyl)-1-oxa-2,8-diazaspiro(4.5)dec-2-en-8-yl)-

    8. 4,4,4-trifluoro-1-(3-(trifluoromethyl)-1-oxa-2,8- Diazaspiro(4.5)dec-2-en-8-yl)butan-1-one

    9. 1-butanone, 4,4,4-trifluoro-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-

    10. 4,4,4-trifluoro-1-[3-(trifluoromethyl)-1-oxa-2,8- Diazaspiro[4.5]dec-2-en-8-yl]butan-1-one

    11. 4,4,4-trifluoro-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-1-butanone

    12. Bvl-gsk098

    13. Chembl5095086

    14. Schembl20743785

    15. Gtpl12957

    16. Zeavkhmqtzbund-uhfffaoysa-n

    17. Hy-147241

    18. Cs-0541910

    19. 4,4,4-trifluoro-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one

    2.4 Create Date
    2019-03-16
    3 Chemical and Physical Properties
    Molecular Weight 332.24 g/mol
    Molecular Formula C12H14F6N2O2
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area41.9
    Heavy Atom Count22
    Formal Charge0
    Complexity463
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1