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Polpharma European CDMO Partner & API Manufacturer since 1951 Polpharma European CDMO Partner & API Manufacturer since 1951

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    Technical details about Phloxine, learn more about the structure, uses, toxicity, action, side effects and more

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    Phloxine

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    PharmaCompass

    Bora Pharmaceuticals- Making success more certain.

    AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

    2D Structure
    1. Also known as: Acid red 98, 6441-77-6, C.i. acid red 98, Ci 45405, C.i. 45405, Qdw0t759t6
    Molecular Formula
    C20H4Br4Cl2K2O5
    Molecular Weight
    793.0  g/mol
    InChI Key
    JBBPTUVOZCXCSU-UHFFFAOYSA-L
    FDA UNII
    QDW0T759T6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dipotassium;2',4',5',7'-tetrabromo-4,7-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
    2.1.2 InChI
    InChI=1S/C20H6Br4Cl2O5.2K/c21-7-3-5-17(13(23)15(7)27)30-18-6(4-8(22)16(28)14(18)24)20(5)12-10(26)2-1-9(25)11(12)19(29)31-20;;/h1-4,27-28H;;/q;2*+1/p-2
    2.1.3 InChI Key
    JBBPTUVOZCXCSU-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C1=CC(=C2C(=C1Cl)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)[O-])Br)Br)[O-])Br)Cl.[K+].[K+]
    2.2 Other Identifiers
    2.2.1 UNII
    QDW0T759T6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acid Red 98

    2. C.i. 45405

    3. C.i. Acid Red 98

    4. Ci Acid Red 98

    5. Merck 1371

    6. Phloxine

    7. Phloxine Sodium

    2.3.2 Depositor-Supplied Synonyms

    1. Acid Red 98

    2. 6441-77-6

    3. C.i. Acid Red 98

    4. Ci 45405

    5. C.i. 45405

    6. Qdw0t759t6

    7. Fluorescein, 4,7-dichloro-2',4',5',7'-tetrabromo-, Dipotassium Salt

    8. Spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one, 2',3',5',7'-tetrabromo-4,7-dichloro-3',6'-dihydroxy-, Dipotassium Salt

    9. Dipotassium 3,6-dichloro-2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate

    10. Phloxine K

    11. Toyo Acid Phloxine

    12. Spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one, 2',4',5',7'-tetrabromo-4,7-dichloro-3',6'-dihydroxy-, Potassium Salt (1:2)

    13. Ci Acid Red 98

    14. Ccris 9133

    15. Spiro[isobenzofuran-1(3h),9'-[9h]xanthen]-3-one, 2',4',5',7'-tetrabromo-4,7-dichloro-3',6'-dihydroxy-, Potassium Salt (1:2)

    16. Einecs 229-225-4

    17. Unii-qdw0t759t6

    18. Schembl340126

    19. C.i. Food Red 92

    20. Dtxsid80912314

    21. Ci 45405 [inci]

    22. 2,4,5,7-tetrabromo-12,15-dichlorofluorescein, Dipotassium Salt

    23. 4,6-dichloro-2',4',5',7'-tetrabromofluorescein Dipotassium Salt

    24. Fluorescein, 2',4',5',7'-tetrabromo-4,7-dichloro-, Dipotassium Salt

    25. 2',4',5',7'-tetrabromo-4,7-tetrabromo-4,7-dichloro-3',6'-dihydrox- Yspiro(isobenzofuran-1(3h)9'-(9h)xanthen)-3-one, Dipotassium Salt

    26. 2',4',5',7'-tetrabromo-4,7-tetrabromo-4,7-dichloro-3',6'- Dihydrox- Yspiro(isobenzofuran-1(3h)9'-(9h)xanthen)-3-one, Dipotassium Salt

    27. Dipotassium;2',4',5',7'-tetrabromo-4,7-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 793.0 g/mol
    Molecular Formula C20H4Br4Cl2K2O5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count0
    Exact Mass791.54024 g/mol
    Monoisotopic Mass787.54434 g/mol
    Topological Polar Surface Area81.6 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity714
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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