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    Metrizoate Sodium

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
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    2D Structure
    Also known as: Metrizoate sodium, 7225-61-8, Isopaque, Triosil, Sodium metrizoate [inn], Metrizoic acid sodium salt
    Molecular Formula
    C12H10I3N2NaO4
    Molecular Weight
    649.92  g/mol
    InChI Key
    UKIYDXCFKFLIMU-UHFFFAOYSA-M
    FDA UNII
    O65Q227UIC
    A diagnostic radiopaque that usually occurs as the sodium salt.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate
    2.1.2 InChI
    InChI=1S/C12H11I3N2O4.Na/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);/q;+1/p-1
    2.1.3 InChI Key
    UKIYDXCFKFLIMU-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)N(C)C(=O)C)I.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    O65Q227UIC
    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. Metrizoic Acid

    6. Triosil

    2.3.2 Depositor-Supplied Synonyms

    1. Metrizoate Sodium

    2. 7225-61-8

    3. Isopaque

    4. Triosil

    5. Sodium Metrizoate [inn]

    6. Metrizoic Acid Sodium Salt

    7. Metrizoate Sodium [usan]

    8. O65q227uic

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

    10. Nsc-107431

    11. Isopaque 440

    12. Metrizoate Sodium (usan)

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

    14. Natrii Metrizoas

    15. Metrizoato Sodico

    16. Metrizoate De Sodium

    17. Metrizoic Acid Sodium

    18. Ncgc00181093-01

    19. Unii-o65q227uic

    20. Natrii Metrizoas [inn-latin]

    21. Metrizoato Sodico [inn-spanish]

    22. Metrizoate De Sodium [inn-french]

    23. Einecs 230-624-0

    24. Metrizoate Sodium [usan:inn:ban]

    25. Nsc 107431

    26. Dsstox_cid_28245

    27. Dsstox_rid_82747

    28. Dsstox_gsid_48270

    29. Schembl636612

    30. Sodium Metrizoate (jan/inn)

    31. Sodium Metrizoate [jan]

    32. Chembl1200423

    33. Dtxsid4048270

    34. Chebi:31730

    35. Sodium Metrizoate [mart.]

    36. Sodium Metrizoate [who-dd]

    37. Tox21_112709

    38. Metrizoate Sodium [orange Book]

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

    40. Metrizoic Acid Sodium Salt [mi]

    41. Cas-7225-61-8

    42. D01880

    43. Q27285393

    44. Sodium;3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 649.92 g/mol
    Molecular Formula C12H10I3N2NaO4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass649.7672 g/mol
    Monoisotopic Mass649.7672 g/mol
    Topological Polar Surface Area89.5 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity454
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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.)