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    Ioxaglate Meglumine

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Meglumine ioxaglate, Ioxaglate meglumine [usan], 59018-13-2, Mp 302 (mixt. with ioxaglate sodium), Hexabrix, 75jr975t11
    Molecular Formula
    C31H38I6N6O13
    Molecular Weight
    1464.1  g/mol
    InChI Key
    HUHDYASLFWQVOL-WZTVWXICSA-N
    FDA UNII
    75JR975T11
    A low-osmolar, ionic contrast medium used in various radiographic procedures.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
    2.1.2 InChI
    InChI=1S/C24H21I6N5O8.C7H17NO5/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;1-8-2-4(10)6(12)7(13)5(11)3-9/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
    2.1.3 InChI Key
    HUHDYASLFWQVOL-WZTVWXICSA-N
    2.1.4 Canonical SMILES
    CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I.CNCC(C(C(C(CO)O)O)O)O
    2.1.5 Isomeric SMILES
    CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    75JR975T11
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Hexabrix

    2. Ioxaglate

    3. Ioxaglate Sodium

    4. Ioxaglate, Methylglucamine

    5. Ioxaglic Acid

    6. Ioxaglic Acid Monosodium Salt

    7. Ioxaglic Acid, Calcium Salt (2:1)

    8. Meglumine, Ioxaglate

    9. Methylglucamine Ioxaglate

    10. P-286 (contrast Media)

    11. P286 (contrast Media)

    2.3.2 Depositor-Supplied Synonyms

    1. Meglumine Ioxaglate

    2. Ioxaglate Meglumine [usan]

    3. 59018-13-2

    4. Mp 302 (mixt. With Ioxaglate Sodium)

    5. Hexabrix

    6. 75jr975t11

    7. Ioxaglate Meglumine (usan)

    8. N-(2-hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-triiodo-3-(n-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic Acid, Compound With 1-deoxy-1-(methylamino)-d-glucitol (1:1)

    9. 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic Acid;(2r,3r,4r,5s)-6-(methylamino)hexane-1,2,3,4,5-pentol

    10. Benzoic Acid, 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodo-, Compound With 1-deoxy-1-(methylamino)-d-glucitol (1:1)

    11. Ioxagluc Acid

    12. Unii-75jr975t11

    13. Einecs 261-561-7

    14. Mp 302 (mixt.with Iosaglate Sodium)

    15. Schembl666706

    16. Chembl1200508

    17. Ioxaglate Meglumine [vandf]

    18. Meglumine Ioxaglate [mart.]

    19. Ioxaglate Meglumine [who-dd]

    20. Mp-302

    21. Ioxaglate Meglumine [orange Book]

    22. Hexabrix Component Ioxaglate Meglumine

    23. D04598

    24. Ioxaglate Meglumine Component Of Hexabrix

    25. Q27266396

    26. 1-deoxy-1-(methylamino)-d-glucitol 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoate

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 1464.1 g/mol
    Molecular Formula C31H38I6N6O13
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count16
    Exact Mass1463.6765 g/mol
    Monoisotopic Mass1463.6765 g/mol
    Topological Polar Surface Area307 Ų
    Heavy Atom Count56
    Formal Charge0
    Complexity1220
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    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.)