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    Ezutromid

    INTERMEDIATES

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 945531-77-1, Smt c1100, Bmn-195, Bmn 195, Smt-c1100, Smtc-1100
    Molecular Formula
    C19H15NO3S
    Molecular Weight
    337.4  g/mol
    InChI Key
    KSGCNXAZROJSNW-UHFFFAOYSA-N
    FDA UNII
    645R07LF0D
    Ezutromid has been investigated for the treatment of Muscular Dystrophy, Duchenne.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-ethylsulfonyl-2-naphthalen-2-yl-1,3-benzoxazole
    2.1.2 InChI
    InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
    2.1.3 InChI Key
    KSGCNXAZROJSNW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)C3=CC4=CC=CC=C4C=C3
    2.2 Other Identifiers
    2.2.1 UNII
    645R07LF0D
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-(ethylsulfonyl)-2-(naphthalen-2-yl)benzo(d)oxazole

    2. 5-ethylsulfonyl-nbo

    2.3.2 Depositor-Supplied Synonyms

    1. 945531-77-1

    2. Smt C1100

    3. Bmn-195

    4. Bmn 195

    5. Smt-c1100

    6. Smtc-1100

    7. Ezutromid [inn]

    8. 5-(ethylsulfonyl)-2-(naphthalen-2-yl)benzo[d]oxazole

    9. 5-ethylsulfonyl-nbo

    10. 5-ethylsulfonyl-2-naphthalen-2-yl-1,3-benzoxazole

    11. 5-(ethylsulfonyl)-2-(naphthalen-2-yl)benzo(d)oxazole

    12. 645r07lf0d

    13. Benzoxazole, 5-(ethylsulfonyl)-2-(2-naphthalenyl)-

    14. Unii-645r07lf0d

    15. Smtc1100

    16. Smtc 1100

    17. Vox-c1100

    18. Ezutromid [who-dd]

    19. Schembl732212

    20. Chembl1773683

    21. Gtpl11110

    22. Dtxsid30241525

    23. Bcp18328

    24. Ex-a2333

    25. Bdbm50519636

    26. Zinc71297091

    27. Bmn-195; Smt C1100

    28. Akos030527030

    29. Cs-5710

    30. Db12888

    31. Sb19603

    32. Ac-30950

    33. Hy-17614

    34. F20702

    35. A901653

    36. Q27263708

    37. 5-(ethanesulfonyl)-2-(naphthalen-2-yl)-1,3-benzoxazole

    2.4 Create Date
    2009-01-05
    3 Chemical and Physical Properties
    Molecular Weight 337.4 g/mol
    Molecular Formula C19H15NO3S
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass337.07726451 g/mol
    Monoisotopic Mass337.07726451 g/mol
    Topological Polar Surface Area68.6 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity543
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1