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    Brocrinat

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 72481-99-3, Hp 522, Hp-522, Hp 3522, 6esf2z39vz, 2-[[7-bromo-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
    Molecular Formula
    C15H9BrFNO4
    Molecular Weight
    366.14  g/mol
    InChI Key
    QWOLGQYXAQSNAE-UHFFFAOYSA-N
    FDA UNII
    6ESF2Z39VZ
    Brocrinat is an ethacrynic acid derivative with diuretic activity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[7-bromo-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
    2.1.2 InChI
    InChI=1S/C15H9BrFNO4/c16-13-11(21-7-12(19)20)6-5-9-14(18-22-15(9)13)8-3-1-2-4-10(8)17/h1-6H,7H2,(H,19,20)
    2.1.3 InChI Key
    QWOLGQYXAQSNAE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C2=NOC3=C2C=CC(=C3Br)OCC(=O)O)F
    2.2 Other Identifiers
    2.2.1 UNII
    6ESF2Z39VZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acetic Acid, ((7-bromo-3-(2-fluorophenyl)-1,2-benzisoxazol-6-yl)oxy)-

    2. Hp 522

    3. Hp-522

    2.3.2 Depositor-Supplied Synonyms

    1. 72481-99-3

    2. Hp 522

    3. Hp-522

    4. Hp 3522

    5. 6esf2z39vz

    6. 2-[[7-bromo-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic Acid

    7. Acetic Acid, ((7-bromo-3-(2-fluorophenyl)-1,2-benzisoxazol-6-yl)oxy)-

    8. P 78 3522

    9. Hp-3522

    10. Acidum Halocrinicum

    11. P-783522

    12. Brocrinate

    13. Brocrinatum

    14. Acido Halocrinico

    15. Acide Halocrinique

    16. Brocrinate [french]

    17. Brocrinatum [latin]

    18. Brocrinat [usan:inn]

    19. Brocrinate [inn-french]

    20. Brocrinatum [inn-latin]

    21. Unii-6esf2z39vz

    22. Acide Halocrinique [inn-french]

    23. Acido Halocrinico [inn-spanish]

    24. Acidum Halocrinicum [inn-latin]

    25. Halocrinic Acid

    26. Brocrinat [inn]

    27. Brocrinat [ii]

    28. Brocrinat (usan/inn)

    29. Brocrinat [usan]

    30. Oprea1_097809

    31. Schembl636178

    32. Chembl343565

    33. Dtxsid70222777

    34. Zinc4215069

    35. ((7-brom-3-(2-fluorphenyl)-1,2-benzisoxazol-6-yl)oxy)essigsaiure

    36. ((7-bromo-3-(o-fluorophenyl)-1,2-benzisoxazol-6-yl)oxy)acetic Acid

    37. D03159

    38. Q27264739

    39. 2,2;-bis(2-dichlorophenyl)-4,4;5,5;-tetraphenyl-1,2;-biimidazole

    40. ((((7-bromo-3-(2-fluorophenyl)-1,2-benzisoxazol-6-yl))oxy))acetic Acid

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 366.14 g/mol
    Molecular Formula C15H9BrFNO4
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass364.96990 g/mol
    Monoisotopic Mass364.96990 g/mol
    Topological Polar Surface Area72.6 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity413
    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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