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    Chemistry

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    Also known as: 50978-11-5, Amidotrizoic acid dihydrate, 3,5-diacetamido-2,4,6-triiodobenzoic acid dihydrate, Chebi:59733, Unii-408463f217, Dsstox_cid_28886
    Molecular Formula
    C11H13I3N2O6
    Molecular Weight
    649.94  g/mol
    InChI Key
    JHQKUXXJPHSPOL-UHFFFAOYSA-N
    FDA UNII
    408463F217
    Amidotrizoic Acid
    1 2D Structure

    Amidotrizoic Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,5-diacetamido-2,4,6-triiodobenzoic acid;dihydrate
    2.1.2 InChI
    InChI=1S/C11H9I3N2O4.2H2O/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);2*1H2
    2.1.3 InChI Key
    JHQKUXXJPHSPOL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.O.O
    2.2 Other Identifiers
    2.2.1 UNII
    408463F217
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 50978-11-5

    2. Amidotrizoic Acid Dihydrate

    3. 3,5-diacetamido-2,4,6-triiodobenzoic Acid Dihydrate

    4. Chebi:59733

    5. Unii-408463f217

    6. Dsstox_cid_28886

    7. Dsstox_rid_83154

    8. Dsstox_gsid_48960

    9. 2,4,6-triiodo-3,5-diacetamidobenzoic Acid Dihydrate

    10. 408463f217

    11. 3,5-bis(acetylamino)-2,4,6-triiodobenzoic Acid Dihydrate

    12. 3,5-diacetamido-2,4,6-triiodobenzoic Acid--water (1/2)

    13. Cas-50978-11-5

    14. Ncgc00021123-02

    15. Amidotrizoic Acid [ban:jan]

    16. 3,5-diacetamido-2,4,6-triiodobenzoic Acid;dihydrate

    17. Chembl3188504

    18. Dtxsid1048960

    19. Hms3715h18

    20. Act05335

    21. Amy33530

    22. Tox21_113395

    23. Mfcd06408002

    24. Akos025310142

    25. Tox21_113395_1

    26. Ccg-221238

    27. Ncgc00021123-03

    28. As-13492

    29. Ft-0652238

    30. Amidotrizoic Acid, Dehydrate [who-ip]

    31. D96087

    32. 3,5-diacetamido-2,4,6-triiodobenzoicaciddihydrate

    33. Amidotrizoic Acid Dihydrate [ep Monograph]

    34. Sr-01000003031

    35. Sr-01000003031-5

    36. Q27126875

    37. Acidum Amidotrizoicum, Dehydrate [who-ip Latin]

    38. Benzoic Acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, Hydrate (1:2)

    2.3.2 Other Synonyms

    1. Amidotrizoic Acid

    2. Diatrizoic Acid

    3. Diatrizoate

    2.4 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 649.94 g/mol
    Molecular Formula C11H13I3N2O6
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass649.7908 g/mol
    Monoisotopic Mass649.7908 g/mol
    Topological Polar Surface Area97.5 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity391
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3

    API Reference Price

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    18-Feb-2021
    26-Aug-2024
    KGS
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    Average Price (USD/KGS)

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    Quantity (KGS) & Unit rate (USD/KGS) over time

    API Imports and Exports

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    (KGS)    		 Average Price
    (USD/KGS)    		 Number of Transactions

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