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    Technical details about DSSTox_CID_3729, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_3729

    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 tyropanoate, Bilopaque, Lumopaque, 7246-21-1, Bilopac, Tyropaque
    Molecular Formula
    C15H17I3NNaO3
    Molecular Weight
    663.00  g/mol
    InChI Key
    KTVKGXZZBQCBGD-UHFFFAOYSA-M
    FDA UNII
    XRJ0P5FAYO
    A diagnostic aid as a radiopaque medium in cholecystography.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoate
    2.1.2 InChI
    InChI=1S/C15H18I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1
    2.1.3 InChI Key
    KTVKGXZZBQCBGD-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)[O-])I)I.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    XRJ0P5FAYO
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bilopaque

    2. Sodium Tyropanoate

    3. Sodium, Tyropanoate

    4. Tyropanoate

    5. Tyropanoate, Sodium

    6. Win 88512

    7. Win-88512

    8. Win88512

    2.3.2 Depositor-Supplied Synonyms

    1. Sodium Tyropanoate

    2. Bilopaque

    3. Lumopaque

    4. 7246-21-1

    5. Bilopac

    6. Tyropaque

    7. Nsc-107434

    8. Win 8851-2

    9. Tyropanoate Sodium [usan]

    10. Tyropanoic Acid Sodium Salt

    11. Xrj0p5fayo

    12. Sodium Tyropanoate [inn]

    13. Win-8851-2

    14. Sodium;2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoate

    15. Natrii Tyropanoas

    16. Tyropanoate Sodium (usan)

    17. Natrium Tyropanoat

    18. Sodium Tyropanoate; Tyropanoat; Bilopac; Bilopaque; Lumopaque; Nsc 107434

    19. Tiropanoato Sodico

    20. Natrii Tyropanoas [inn-latin]

    21. Tyropanoate De Sodium

    22. Tiropanoato Sodico [inn-spanish]

    23. Unii-xrj0p5fayo

    24. Tyropanoate De Sodium [inn-french]

    25. Einecs 230-653-9

    26. Bilopaque?

    27. Tyropanoate Sodium [usan:usp]

    28. Bilopaque (tn)

    29. Sodium 3-butyramido-.alpha.-ethyl-2,4,6-triiodohydrocinnamate

    30. Natrium 2-(3-butyramido-2,4,6-triiodbenzyl)butyrat

    31. Sodium 3-butyramido-alpha-ethyl-2,4,6-triiodohydrocinnamate

    32. 2-(3-butyramido-2,4,6-triiodbenzyl)buttersaeure, Natrium-salz

    33. Ncgc00181094-01

    34. 3-butyramido-alpha-ethyl-2,4,6-triiodohydrocinnamic Acid Sodium Salt

    35. Dsstox_cid_3729

    36. Alpha-ethyl-beta-(2,4,6-triiodo-3-butyramidophenyl)propionic Acid Sodium Salt

    37. Benzenepropanoic Acid, Alpha-ethyl-2,4,6-triiodo-3-((1-oxobutyl)amino)-, Monosodium Salt

    38. Dsstox_rid_77169

    39. Dsstox_gsid_23729

    40. Schembl104929

    41. Sodium Tyropanoate (jan/inn)

    42. Tyropanoate Sodium [mi]

    43. Chembl1200899

    44. Dtxsid2023729

    45. Sodium Tyropanoate [jan]

    46. Chebi:32273

    47. Tyropanoate Sodium [vandf]

    48. Sodium Tyropanoate [mart.]

    49. Sodium Tyropanoate [who-dd]

    50. Tox21_112710

    51. Hydrocinnamic Acid, 3-butyramido-alpha-ethyl-2,4,6-triiodo-, Monosodium Salt

    52. Hydrocinnamic Acid, 3-butyramido-alpha-ethyl-2,4,6-triiodo-, Sodium Salt

    53. Tyropanoate Sodium [orange Book]

    54. Cas-7246-21-1

    55. D01884

    56. Q27293969

    57. Sodium 2-{[3-(butanoylamino)-2,4,6-triiodophenyl]methyl}butanoate

    58. Sodium-2-[(3-butanoylamino-2,4,6-triiodo-phenyl)methyl]butanoate

    59. Benzenepropanoic Acid, .alpha.-ethyl-2,4,6-triiodo-3-((1-oxobutyl)amino)-, Monosodium Salt

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 663.00 g/mol
    Molecular Formula C15H17I3NNaO3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass662.8240 g/mol
    Monoisotopic Mass662.8240 g/mol
    Topological Polar Surface Area69.2 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity400
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    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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