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    Technical details about DSSTox_CID_31457, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_31457

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: Sodium iothalamate, 1225-20-3, Angio-conray, Sodium iotalamate, Iotalamate sodium, Iothalamic acid sodium salt
    Molecular Formula
    C11H8I3N2NaO4
    Molecular Weight
    635.89  g/mol
    InChI Key
    WCIMWHNSWLLELS-UHFFFAOYSA-M
    FDA UNII
    KDN276D83N
    A contrast medium in diagnostic radiology with properties similar to those of diatrizoic acid. It is used primarily as its sodium and meglumine (IOTHALAMATE MEGLUMINE) salts.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate
    2.1.2 InChI
    InChI=1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1
    2.1.3 InChI Key
    WCIMWHNSWLLELS-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    KDN276D83N
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acid, Iotalamic

    2. Acid, Iothalamic

    3. Acid, Methalamic

    4. Angio Conray

    5. Angio-conray

    6. Angioconray

    7. Conray 420

    8. Iodothalamate

    9. Iotalamic Acid

    10. Iothalamate

    11. Iothalamate, Sodium

    12. Iothalamic Acid

    13. Iothalamic Acid, Calcium (2:1) Salt

    14. Iothalamic Acid, Monosilver (1+) Salt

    15. Iothalamic Acid, Monosodium Salt

    16. Iothalamic Acid, Monosodium Salt, Dimer

    17. Lopamidol

    18. Methalamic Acid

    19. Sodium Iothalamate

    2.3.2 Depositor-Supplied Synonyms

    1. Sodium Iothalamate

    2. 1225-20-3

    3. Angio-conray

    4. Sodium Iotalamate

    5. Iotalamate Sodium

    6. Iothalamic Acid Sodium Salt

    7. Iothalamate (sodium)

    8. Iothalamate Sodium [usp]

    9. Sodium Iotalamate Injection

    10. Kdn276d83n

    11. Monosodium 5-acetamido-2,4,6-triiodo-n-methylisophthalamate

    12. Sodium;3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate

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

    14. Mediocontrix

    15. Angio-contrix

    16. Iothalamate Sodium (usp)

    17. Conray 80

    18. Conray 300

    19. Conray 325

    20. Conray 400

    21. Conray-400

    22. Iothalamate Sodium Salt

    23. Sodium 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate

    24. Benzoic Acid, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-, Monosodium Salt

    25. Iotalamate De Sodium

    26. Iotalamate De Sodium [french]

    27. Iothalamate Sodium (injection)

    28. Sodium 3-(acetylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoate

    29. Einecs 214-955-8

    30. Unii-kdn276d83n

    31. Conray 400 (tn)

    32. 5-acetylamino-n-methyl-2,4,6-triiodoisophthalamic Acid Sodium Salt

    33. Isophthalamic Acid, 5-acetamido-2,4,6-triiodo-n-methyl-, Monosodium Salt

    34. Sodium Iotalamate (jp17)

    35. Dsstox_cid_31457

    36. Dsstox_rid_97343

    37. Dsstox_gsid_57668

    38. Schembl159919

    39. Sodium Iotalamate [jan]

    40. Chembl1097620

    41. Dtxsid1057668

    42. Sodium Iotalamate [mart.]

    43. Iothalamate Sodium [vandf]

    44. Iotalamate Sodium [who-dd]

    45. Tox21_113735

    46. Isophthalamic Acid, 5-acetamido-2,4,6-triiodo-n-methyl-, Sodium Salt

    47. Iothalamate Sodium [orange Book]

    48. Isophthalamic Acid, 5-acetylamino-n-methyl-2,4,6-triiodo-, Sodium Salt

    49. Iothalamate Sodium [usp Impurity]

    50. Iothalamic Acid Sodium Salt [mi]

    51. Ncgc00253600-01

    52. Cas-1225-20-3

    53. Vascoray Component Iothalamate Sodium

    54. D03603

    55. Iothalamate Sodium Component Of Vascoray

    56. Q27282205

    57. Sodium3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 635.89 g/mol
    Molecular Formula C11H8I3N2NaO4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass635.7516 g/mol
    Monoisotopic Mass635.7516 g/mol
    Topological Polar Surface Area98.3 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity426
    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.)

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