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    Iodoxamic Acid

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Videocolangio, Endomirabil, 31127-82-9, Endobil, Iodoxamid, Sq 21982
    Molecular Formula
    C26H26I6N2O10
    Molecular Weight
    1287.9  g/mol
    InChI Key
    WWVAPFRKZMUPHZ-UHFFFAOYSA-N
    FDA UNII
    NS1Y283HW4
    Radiopaque medium used in the diagnosis of gall bladder & bile duct diseases, usually as meglumine salt.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
    2.1.2 InChI
    InChI=1S/C26H26I6N2O10/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)
    2.1.3 InChI Key
    WWVAPFRKZMUPHZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I
    2.2 Other Identifiers
    2.2.1 UNII
    NS1Y283HW4
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,3'-((1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-dily)diimino)bis(2,4,6-triiodobenzoic Acid)

    2. B 10610

    3. B-10610

    4. Bc 17

    5. Bc-17

    6. Endobil

    7. Iodoxamate

    8. Iodoxamic Acid, Calcium Salt

    9. Iodoxamic Acid, Magnesium Salt

    10. Iodoxamid

    11. Iodoxamidic Acid

    12. Iodoxaminic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. Videocolangio

    2. Endomirabil

    3. 31127-82-9

    4. Endobil

    5. Iodoxamid

    6. Sq 21982

    7. Bc-17

    8. B 10610

    9. B-10610

    10. Ns1y283hw4

    11. 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis(2,4,6-triiodobenzoic Acid)

    12. Benzoic Acid, 3,3'-((1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)diimino)bis(2,4,6-triiodo-

    13. Cholevue

    14. Sq-21982

    15. Iodoxamsaeure

    16. Iodoxamsaeure [german]

    17. Acido Iodoxamico

    18. Acide Iodoxamique

    19. Acido Iodossamico

    20. Acido Iodossamico [dcit]

    21. Acidum Iodoxamicum

    22. Acide Iodoxamique [inn-french]

    23. Acido Iodoxamico [inn-spanish]

    24. Acidum Iodoxamicum [inn-latin]

    25. Einecs 250-478-1

    26. Brn 2801368

    27. Unii-ns1y283hw4

    28. Endobil (tn)

    29. Iodoxamic Acid [usan:inn:ban:jan]

    30. 4,7,10,13-tetraoxahexadecane-1,16-dioyl-bis(3-carboxytriiodoanilide)

    31. Dsstox_cid_31499

    32. Dsstox_rid_97384

    33. Iodoxamic Acid [ii]

    34. Dsstox_gsid_57710

    35. Iodoxamic Acid [inn]

    36. Iodoxamic Acid [jan]

    37. Iodoxamic Acid [usan]

    38. Schembl377402

    39. Iodoxamic Acid [mart.]

    40. Chembl1615487

    41. Dtxsid4057710

    42. Iodoxamic Acid [who-dd]

    43. Chebi:31707

    44. Iodoxamic Acid (jan/usan/inn)

    45. Tox21_113933

    46. Db13539

    47. Benzoic Acid, 3,3'-(ethylenebis(oxyethyleneoxyethylenecarbonylimino))bis(2,4,6-triiodo-

    48. Ncgc00262940-01

    49. 3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic Acid

    50. Cas-31127-82-9

    51. D01312

    52. Q6062332

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 1287.9 g/mol
    Molecular Formula C26H26I6N2O10
    XLogP34.2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count19
    Exact Mass1287.5856 g/mol
    Monoisotopic Mass1287.5856 g/mol
    Topological Polar Surface Area170 Ų
    Heavy Atom Count44
    Formal Charge0
    Complexity868
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Contrast Media

    Substances used to allow enhanced visualization of tissues. (See all compounds classified as Contrast Media.)

    4.2 ATC Code

    V - Various

    V08 - Contrast media

    V08A - X-ray contrast media, iodinated

    V08AC - Watersoluble, hepatotropic x-ray contrast media

    V08AC01 - Iodoxamic acid