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    Chemistry

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    Also known as: 129-16-8, Merbromina, Mercury dibromofluorescein disodium salt, Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;hydrate, Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;tetrahydrate, Mfcd00013081
    Molecular Formula
    C20H9Br2HgNa2O6
    Molecular Weight
    751.7  g/mol
    InChI Key
    KQSRXDXJGUJRKE-UHFFFAOYSA-L
    Merbromin
    A once-popular mercury containing topical antiseptic.
    1 2D Structure

    Merbromin

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;hydrate
    2.1.2 InChI
    InChI=1S/C20H9Br2O5.Hg.2Na.H2O/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;;;;/h1-7,24H,(H,25,26);;;;1H2/q;;2*+1;/p-2
    2.1.3 InChI Key
    KQSRXDXJGUJRKE-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)Br)[O-])[Hg])Br)C(=O)[O-].O.[Na+].[Na+]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 2,7 Dibromo 4 Hydroxymercurifluoresceine

    2. 2,7-dibromo-4-hydroxymercurifluoresceine

    3. Merbromine

    4. Mercurochrome

    5. Mercury, (2',7'-dibromo-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3h),9'-(9h)xanthen)-4'-yl)hydroxy-, Disodium Salt

    2.2.2 Depositor-Supplied Synonyms

    1. 129-16-8

    2. Merbromina

    3. Mercury Dibromofluorescein Disodium Salt

    4. Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;hydrate

    5. Disodium;[2,7-dibromo-9-(2-carboxylatophenyl)-3-oxido-6-oxoxanthen-4-yl]mercury;tetrahydrate

    6. Mfcd00013081

    7. Cinfacromin

    8. Merbromino

    9. Mercuriocromo

    10. Supercrome

    11. Sodium Merbromin

    12. Sodium Mercurescein

    13. Mercurochrome (tn)

    14. Merbromin N.f Xii

    15. Schembl25312

    16. Spectrum1500637

    17. Chebi:6763

    18. Hms501e17

    19. Dtxsid701015061

    20. Hms1921m15

    21. Hms2092e12

    22. Bcp24664

    23. Ccg-39726

    24. Akos015903744

    25. Db13392

    26. Ncgc00094822-01

    27. Ncgc00094822-02

    28. D00861

    29. Mercury Dibromofluorescein Disodium Salt, Practical Grade, Crystalline

    30. 15015-80-2

    31. Disodium [2,7-dibromo-9-(2-carboxylatophenyl)-6-oxido-3-oxo-3h-xanthen-5-yl](hydroxy)mercury

    32. Sodium (2,7-dibromo-9-(2-carboxylatophenyl)-6-oxido-3-oxo-3h-xanthen-5-yl)(hydroxy)mercury

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 751.7 g/mol
    Molecular Formula C20H9Br2HgNa2O6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass752.82472 g/mol
    Monoisotopic Mass750.82677 g/mol
    Topological Polar Surface Area90.5 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity801
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    D - Dermatologicals

    D08 - Antiseptics and disinfectants

    D08A - Antiseptics and disinfectants

    D08AK - Mercurial products

    D08AK04 - Merbromin

    API Reference Price

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