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    Chemistry

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    Also known as: Alks 2680, 2648347-56-0, N-((21s,24s,52r,53s)-6-oxo-3,8-dioxa-5(2,1)-piperidina-1(1,2)-benzena-2(1,4)-cyclohexanacyclooctaphane-53-yl)methanesulfonamide, Alixorexton [inn], 3brw4aru66, Alks2680
    Molecular Formula
    C21H30N2O5S
    Molecular Weight
    422.5  g/mol
    InChI Key
    IHNJMACFBQEKRJ-VHZYLWGESA-N
    FDA UNII
    3BRW4ARU66
    Alixorexton
    1 2D Structure

    Alixorexton

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
    2.1.2 InChI
    InChI=1S/C21H30N2O5S/c1-29(25,26)22-18-6-4-12-23-19(18)13-27-16-10-8-15(9-11-16)17-5-2-3-7-20(17)28-14-21(23)24/h2-3,5,7,15-16,18-19,22H,4,6,8-14H2,1H3/t15?,16?,18-,19-/m0/s1
    2.1.3 InChI Key
    IHNJMACFBQEKRJ-VHZYLWGESA-N
    2.2 Other Identifiers
    2.2.1 UNII
    3BRW4ARU66
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Alks 2680

    2. 2648347-56-0

    3. N-((21s,24s,52r,53s)-6-oxo-3,8-dioxa-5(2,1)-piperidina-1(1,2)-benzena-2(1,4)-cyclohexanacyclooctaphane-53-yl)methanesulfonamide

    4. Alixorexton [inn]

    5. 3brw4aru66

    6. Alks2680

    7. Schembl23424870

    8. Schembl23425231

    9. Alks-2680

    10. Gtpl13879

    11. Alixorexton (alks 2680)

    12. Ex-a12469

    13. At48502

    14. Compound 2 [wo2021108628a1]

    15. Methanesulfonamide, N-[(4s,4ar,7alpha,10alpha)-1,2,3,4,4a,5,7,8,9,10,16,17-dodecahydro-17-oxo-7,10-ethanopyrido[1,2-d][1,7,4]benzodioxaazacyclotridecin-4-yl]-

    16. N-[(4s,4ar,7alpha,10alpha)-1,2,3,4,4a,5,7,8,9,10,16,17-dodecahydro-17-oxo-7,10-ethanopyrido[1,2-d][1,7,4]benzodioxaazacyclotridecin-4-yl]methanesulfonamide

    17. N-[7,10-cis-(4s,4ar)-17-oxo-1,2,3,4,4a,5,7,8,9,10,16,17-dodecahydro-7,10-ethanopyrido[1,2-d][1,7,4]benzodioxaazacyclotridecin-4-yl]methanesulfonamide

    2.4 Create Date
    2021-08-21
    3 Chemical and Physical Properties
    Molecular Weight 422.5 g/mol
    Molecular Formula C21H30N2O5S
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area93.3
    Heavy Atom Count29
    Formal Charge0
    Complexity671
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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