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    Metrizoic Acid

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
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    2D Structure
    Also known as: Metrizoate, 1949-45-7, Acide metrizoique, Acidum metrizoicum, 3-acetamido-2,4,6-triiodo-5-(n-methylacetamido)benzoic acid, Metrizoic acid [jan]
    Molecular Formula
    C12H11I3N2O4
    Molecular Weight
    627.94  g/mol
    InChI Key
    GGGDNPWHMNJRFN-UHFFFAOYSA-N
    FDA UNII
    CM1N99QR1M
    A diagnostic radiopaque that usually occurs as the sodium salt.
    Metrizoic acid is a Radiographic Contrast Agent. The mechanism of action of metrizoic acid is as a X-Ray Contrast Activity.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
    2.1.2 InChI
    InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)
    2.1.3 InChI Key
    GGGDNPWHMNJRFN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I
    2.2 Other Identifiers
    2.2.1 UNII
    CM1N99QR1M
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzoic Acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-

    2. Isopaque

    3. Metrizoate

    4. Metrizoate Sodium

    5. Triosil

    2.3.2 Depositor-Supplied Synonyms

    1. Metrizoate

    2. 1949-45-7

    3. Acide Metrizoique

    4. Acidum Metrizoicum

    5. 3-acetamido-2,4,6-triiodo-5-(n-methylacetamido)benzoic Acid

    6. Metrizoic Acid [jan]

    7. Isopaque

    8. Triosil

    9. 3-acetamido-2,4,6-triiodo-5-n-methylacetamidobenzoic Acid

    10. Benzoic Acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-

    11. 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic Acid

    12. 3-(acetylamino)-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic Acid

    13. Cm1n99qr1m

    14. Chebi:34847

    15. 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoic Acid

    16. V08aa02

    17. Isopaque 440

    18. Smr001550298

    19. Nsc107431

    20. Metrizoic Acid, Metrizoic Acid 610.4mg

    21. Ncgc00181093-01

    22. Einecs 217-761-1

    23. Unii-cm1n99qr1m

    24. Brn 2822724

    25. Metrizoic-acid

    26. 3-(acetylamino)-5-(acetyl(methyl)amino)-2,4,6-triiodobenzoic Acid

    27. Benzoic Acid, 3-acetamido-2,4,6-triiodo-5-(n-methylacetamido)-

    28. Sodium Metrizoate (usan)

    29. Chembl1736

    30. Metrizoic Acid [mi]

    31. Schembl37641

    32. Mls004773979

    33. Mls006010899

    34. Metrizoic Acid [mart.]

    35. Dtxsid6023311

    36. Metrizoic Acid [who-dd]

    37. 3-acetamido-5-(n-methylacetamido)-2,4,6-triiodobenzoic Acid

    38. 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic Acid

    39. Hy-b1699

    40. Zinc3831116

    41. Metrizoic Acid [orange Book]

    42. Mfcd00867964

    43. Db09346

    44. As-70791

    45. Cs-0013692

    46. Ft-0672392

    47. M1363

    48. D91491

    49. Sr-01000939781

    50. J-012629

    51. Q6824400

    52. Sr-01000939781-2

    53. 3-acetamido-2,4, 6-triiodo-5-(n-methylacetamido)benzoate-

    54. Sodium 3-acetamido-2,4, 6-triiodo-5-(n-methylacetamido)benzoate

    55. 3-acetamido-2,4,6-tri-iodo-5-(n-methylacetamido)benzoic Acid

    56. Benzoic Acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4, 6-triiodo-, Monosodium Salt

    57. Benzoic Acid, 3-acetamido-2,4, 6-triiodo-5-(n-methylacetamido)-, Monosodium Salt

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 627.94 g/mol
    Molecular Formula C12H11I3N2O4
    XLogP31.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass627.7853 g/mol
    Monoisotopic Mass627.7853 g/mol
    Topological Polar Surface Area86.7 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity448
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    For use as a contrast medium.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Contrast Media

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

    5.2 FDA Pharmacological Classification
    5.2.1 Active Moiety
    METRIZOIC ACID
    5.2.2 FDA UNII
    CM1N99QR1M
    5.2.3 Pharmacological Classes
    Mechanisms of Action [MoA] - X-Ray Contrast Activity
    5.3 ATC Code

    V - Various

    V08 - Contrast media

    V08A - X-ray contrast media, iodinated

    V08AA - Watersoluble, nephrotropic, high osmolar x-ray contrast media

    V08AA02 - Metrizoic acid

    5.4 Mechanism of Action

    The mechanism of action of metrizoic acid is as an X-Ray contrast activity.