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    Chemistry

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    Also known as: 1266084-51-8, Scyx-7158, 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide, 2ior2oo3gw, 4-fluoro-n-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide, 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo(c)(1),(2)oxaborol-6-yl-2-trifluoromethyl benzamide
    Molecular Formula
    C17H14BF4NO3
    Molecular Weight
    367.1  g/mol
    InChI Key
    PTYGDEXEGLDNAZ-UHFFFAOYSA-N
    FDA UNII
    2IOR2OO3GW
    Acoziborole
    SCYX-7158 has been used in trials studying the treatment of Trypanosomiasis, Parasitic Diseases, Protozoan Infections, and Trypanosomiasis, African.
    1 2D Structure

    Acoziborole

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-fluoro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
    2.1.2 InChI
    InChI=1S/C17H14BF4NO3/c1-16(2)12-6-4-10(8-14(12)18(25)26-16)23-15(24)11-5-3-9(19)7-13(11)17(20,21)22/h3-8,25H,1-2H3,(H,23,24)
    2.1.3 InChI Key
    PTYGDEXEGLDNAZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    B1(C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)C(F)(F)F)C(O1)(C)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    2IOR2OO3GW
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Scyx 7158

    2. Scyx-7158

    3. Scyx7158

    2.3.2 Depositor-Supplied Synonyms

    1. 1266084-51-8

    2. Scyx-7158

    3. 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide

    4. 2ior2oo3gw

    5. 4-fluoro-n-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide

    6. 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo(c)(1),(2)oxaborol-6-yl-2-trifluoromethyl Benzamide

    7. Benzamide, N-(1,3-dihydro-1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-4-fluoro-2-(trifluoromethyl)-

    8. Unii-2ior2oo3gw

    9. Acoziborole [inn]

    10. Acoziborole [who-dd]

    11. Schembl1164186

    12. Chembl2347704

    13. Sctx-7158

    14. Chebi:183111

    15. Dtxsid301336035

    16. An5568

    17. Mfcd30532746

    18. Akos037644970

    19. Db13086

    20. 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydro-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide

    21. Ac-36374

    22. As-55745

    23. Hy-19910

    24. Cs-0016944

    25. J3.511.276f

    26. W19688

    27. A937430

    28. Q27254793

    29. 4-luoro-n-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-2-(triluoromethyl)benzamide

    30. 4-fluoro-n-(1-hydroxy-3,3-dimethyl-1,3-dihydro-benzo[c][1,2]oxaborol-6-yl)-2-trifluoromethyl Benzamide

    31. N-(1,3-dihydro-1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-4-fluoro-2-(trifluoromethyl)benzamide

    2.4 Create Date
    2009-08-31
    3 Chemical and Physical Properties
    Molecular Weight 367.1 g/mol
    Molecular Formula C17H14BF4NO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass367.1002861 g/mol
    Monoisotopic Mass367.1002861 g/mol
    Topological Polar Surface Area58.6 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity545
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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