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    Rezvilutamide

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 1572045-62-5, Rezvilutamide [inn], Unii-70fjn2aw22, 70fjn2aw22, Ariane, Shr3680
    Molecular Formula
    C22H20F3N3O4S
    Molecular Weight
    479.5  g/mol
    InChI Key
    KRBMOYIWQCZVHA-INIZCTEOSA-N
    FDA UNII
    70FJN2AW22
    SHR3680 is a small molecule drug with a maximum clinical trial phase of III (across all indications) and has 5 investigational indications.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
    2.1.2 InChI
    InChI=1S/C22H20F3N3O4S/c1-21(2)19(31)27(15-4-3-13(10-26)18(9-15)22(23,24)25)20(33)28(21)14-5-7-17(8-6-14)32-12-16(30)11-29/h3-9,16,29-30H,11-12H2,1-2H3/t16-/m0/s1
    2.1.3 InChI Key
    KRBMOYIWQCZVHA-INIZCTEOSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    70FJN2AW22
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1572045-62-5

    2. Rezvilutamide [inn]

    3. Unii-70fjn2aw22

    4. 70fjn2aw22

    5. Ariane

    6. Shr3680

    7. Rezvilutamide [who-dd]

    8. 4-[3-[4-[(2s)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

    9. Shr-3680

    10. 4-(3-(4-((s)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile

    11. Benzonitrile, 4-(3-(4-((2s)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)-

    12. Example 44 [wo2014036897a1]

    13. Example 44 (wo2014036897a1)

    14. 4-(3-(4-((2s)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile

    15. Refchem:179043

    16. Shr 3680

    17. Androgen Receptor Antagonist Shr3680

    18. Rezvilutamida

    19. Orb1691608

    20. Chembl4650276

    21. Schembl15506490

    22. Schembl29509762

    23. Gtpl12798

    24. Dtxsid001336581

    25. Glxc-26908

    26. Akos040756903

    27. (s)-4-(3-(4-(2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile

    28. Da-57412

    29. Ms-28910

    30. Hy-137448

    31. Cs-0138653

    32. G18393

    2.4 Create Date
    2015-02-13
    3 Chemical and Physical Properties
    Molecular Weight 479.5 g/mol
    Molecular Formula C22H20F3N3O4S
    XLogP32.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area129
    Heavy Atom Count33
    Formal Charge0
    Complexity791
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1