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    Oveporexton

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    2D Structure
    Also known as: 2460722-04-5, 59mf6p2atf, Refchem:1093929, N-[(2s,3r)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-4,4-difluoro-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]ethanesulfonamide, Tak-861, Oveporexton [inn]
    Molecular Formula
    C23H25F5N2O4S
    Molecular Weight
    520.5  g/mol
    InChI Key
    KVMGAIOTUIGROS-AZUAARDMSA-N
    FDA UNII
    59MF6P2ATF
    Oveporexton is a small molecule drug. The usage of the INN stem '-orexton' in the name indicates that Oveporexton is a orexin receptor agonist. Oveporexton has a monoisotopic molecular weight of 520.15 Da.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(2S,3R)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-4,4-difluoro-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]ethanesulfonamide
    2.1.2 InChI
    InChI=1S/C23H25F5N2O4S/c1-4-35(33,34)29-20-18(30(12-23(20,27)28)21(31)22(2,3)32)10-13-6-5-7-17(19(13)26)14-8-15(24)11-16(25)9-14/h5-9,11,18,20,29,32H,4,10,12H2,1-3H3/t18-,20+/m0/s1
    2.1.3 InChI Key
    KVMGAIOTUIGROS-AZUAARDMSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    59MF6P2ATF
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2460722-04-5

    2. 59mf6p2atf

    3. Refchem:1093929

    4. N-[(2s,3r)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-4,4-difluoro-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]ethanesulfonamide

    5. Tak-861

    6. Oveporexton [inn]

    7. Oveporexton (usan/inn)

    8. Orb2695692

    9. Orb2695697

    10. Chembl6068065

    11. Schembl22287319

    12. Gtpl13513

    13. Yqf2582

    14. Kvmgaiotuigros-azuaardmsa-n

    15. Ex-a11418

    16. At46685

    17. Example 3 [us20210276949]

    18. D13223

    19. Ethanesulfonamide, N-((2s,3r)-4,4-difluoro-1-(2-hydroxy-2-methyl-1-oxopropyl)-2-((2,3',5'-trifluoro(1,1'-biphenyl)-3-yl)methyl)-3-pyrrolidinyl)-

    20. N-((2s,3r)-4,4-difluoro-1-(2-hydroxy-2-methylpropanoyl)-2-((2,3',5'-trifluoro-[1,1'-biphenyl]-3-yl)methyl)pyrrolidin-3-yl)ethanesulfonamide

    21. N-[(2s,3r)-4,4-difluoro-1-(2-hydroxy-2-methyl-1-oxopropyl)-2-[(2,3 Inverted Exclamation Marka,5 Inverted Exclamation Marka-trifluoro[1,1 Inverted Exclamation Marka-biphenyl]-3-yl)methyl]-3-pyrrolidinyl]ethanesulfonamide

    22. N-{(2s,3r)-4,4-difluoro-1-(2-hydroxy-2-methylpropanoyl)-2-[(2,3',5'-trifluoro-[1,1'-biphenyl]-3-yl)methyl]pyrrolidin-3-yl}ethane-1-sulfonamide

    2.4 Create Date
    2020-09-28
    3 Chemical and Physical Properties
    Molecular Weight 520.5 g/mol
    Molecular Formula C23H25F5N2O4S
    XLogP33.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count7
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area95.1
    Heavy Atom Count35
    Formal Charge0
    Complexity858
    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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