Cas no 50978-11-5 (Amidotrizoic Acid Dihydrate)

Amidotrizoic Acid Dihydrate is a high-purity iodinated contrast agent primarily used in radiographic imaging procedures. Its key advantages include excellent water solubility, stability, and consistent radiopacity, ensuring reliable visualization of anatomical structures. The dihydrate form enhances handling and storage stability compared to anhydrous variants. It is widely employed in urography, angiography, and other diagnostic applications due to its favorable safety profile and predictable pharmacokinetics. The compound’s well-characterized physicochemical properties, including controlled viscosity and osmolality, make it suitable for precise dosing in clinical settings. Its compatibility with standard medical equipment further underscores its utility in diagnostic radiology.
Amidotrizoic Acid Dihydrate structure
Amidotrizoic Acid Dihydrate structure
Product Name:Amidotrizoic Acid Dihydrate
CAS No:50978-11-5
MF:C11H13I3N2O6
MW:649.94
MDL:MFCD06408002
CID:55914
PubChem ID:329749362
Update Time:2025-10-29

Amidotrizoic Acid Dihydrate Chemical and Physical Properties

Names and Identifiers

    • 3,5-Diacetamido-2,4,6-triiodobenzoic acid
    • Diatrizoic acid dehydrate
    • Amidotrizoic Acid Dihydrate
    • Diatrizoic Acid
    • 3,5-DIACETAMIDO-2,4,6-TRIIODOBENZIOCACID
    • Amidotrizoic acid
    • DIATRIZOIC ACID DIHYDRATE
    • DIATRIZOIC ACID USP
    • DIATRIZOICACID,DIHYDRATE,USP
    • DIAZTRIZOICACID,DIHYDRATE
    • 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid dihydrate
    • SR-01000003031-5
    • 2,4,6-triiodo-3,5-diacetamidobenzoic acid dihydrate
    • Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, dihydrate
    • Tox21_113395_1
    • CCG-221238
    • CHEBI:59733
    • Amidotrizoic Acid [BAN:JAN]
    • MFCD06408002
    • AKOS025310142
    • CAS-50978-11-5
    • 3,5-diacetamido-2,4,6-triiodobenzoic acid;dihydrate
    • DTXCID4028886
    • SR-01000003031
    • Amidotrizoic acid dihydrate; 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid dihydrate
    • NCGC00021123-02
    • D96087
    • NCGC00021123-03
    • ACIDUM AMIDOTRIZOICUM, DEHYDRATE [WHO-IP LATIN]
    • JHQKUXXJPHSPOL-UHFFFAOYSA-N
    • Tox21_113395
    • 117-96-4 (anhydrous)
    • MFCD00069960
    • BENZOIC ACID, 3,5-BIS(ACETYLAMINO)-2,4,6-TRIIODO-, HYDRATE (1:2)
    • UNII-408463F217
    • DTXSID1048960
    • 3,5-diacetamido-2,4,6-triiodobenzoic acid--water (1/2)
    • AS-13492
    • 3,5-diacetamido-2,4,6-triiodobenzoicaciddihydrate
    • 3,5-diacetamido-2,4,6-triiodobenzoic acid dihydrate
    • 50978-11-5
    • AMIDOTRIZOIC ACID, DEHYDRATE [WHO-IP]
    • 408463F217
    • HMS3715H18
    • Q27126875
    • CHEMBL3188504
    • AMIDOTRIZOIC ACID DIHYDRATE [EP MONOGRAPH]
    • MDL: MFCD06408002
    • 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
    • InChI Key: YVPYQUNUQOZFHG-UHFFFAOYSA-N
    • SMILES: CC(NC1=C(I)C(NC(C)=O)=C(I)C(C(O)=O)=C1I)=O.O.O

Computed Properties

  • Exact Mass: 649.79100
  • Monoisotopic Mass: 613.77
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 391
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 95.5A^2

Experimental Properties

  • Density: Not available
  • Melting Point: dec. 288°C
  • Boiling Point: Not available
  • Flash Point: Not available
  • Refractive Index: 1.802
  • PSA: 113.96000
  • LogP: 3.13280
  • Vapor Pressure: Not available

Amidotrizoic Acid Dihydrate Security Information

Amidotrizoic Acid Dihydrate Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Amidotrizoic Acid Dihydrate Related Literature

Additional information on Amidotrizoic Acid Dihydrate

Amidotrizoic Acid Dihydrate (CAS No. 50978-11-5): A Comprehensive Overview

Amidotrizoic Acid Dihydrate, also known by its CAS number 50978-11-5, is a chemical compound that has garnered significant attention in the fields of pharmaceuticals and medical imaging. This compound is a derivative of amidotrizoic acid, which itself is a key intermediate in the synthesis of various contrast agents used in diagnostic imaging techniques such as computed tomography (CT) scans and magnetic resonance imaging (MRI). The dihydrate form of amidotrizoic acid is particularly important due to its enhanced stability and solubility properties, making it highly suitable for large-scale production and application in the medical industry.

The structural formula of Amidotrizoic Acid Dihydrate consists of a tricyclic structure with multiple carboxylic acid groups and an amide functional group. This unique structure not only contributes to its high solubility in aqueous solutions but also enables it to form stable complexes with metal ions, particularly iodine. These complexes are widely used as contrast agents in diagnostic imaging because they enhance the visibility of internal organs and tissues, allowing for more accurate diagnoses.

Recent advancements in the synthesis and characterization of Amidotrizoic Acid Dihydrate have been reported in several scientific journals. For instance, researchers have explored novel synthetic pathways that improve the yield and purity of the compound while reducing production costs. Additionally, studies have focused on optimizing the physical properties of Amidotrizoic Acid Dihydrate to enhance its compatibility with various imaging modalities. One such study published in the Journal of Pharmaceutical Sciences highlighted the importance of controlling the crystallization process to obtain a more stable dihydrate form, which is crucial for maintaining the compound's efficacy over extended periods.

In terms of applications, Amidotrizoic Acid Dihydrate is primarily used as an intermediate in the production of iodinated contrast agents. These agents are essential for visualizing blood flow, organ perfusion, and tissue density during diagnostic procedures. The compound's ability to form stable metal complexes has also led to its exploration in other therapeutic areas, including targeted drug delivery systems and radiopharmaceuticals. For example, a recent study published in Nature Communications demonstrated the potential use of Amidotrizoic Acid Dihydrate derivatives as carriers for anticancer drugs, leveraging their ability to bind metal ions for controlled drug release.

The demand for Amidotrizoic Acid Dihydrate has been steadily increasing due to the growing prevalence of chronic diseases and the rising need for accurate diagnostic tools. According to market research reports, the global contrast agent market is projected to grow at a significant rate over the next decade, driven by advancements in medical imaging technologies and an aging population. As a key component in these agents, Amidotrizoic Acid Dihydrate plays a pivotal role in meeting this growing demand while ensuring patient safety and diagnostic accuracy.

From a regulatory perspective, Amidotrizoic Acid Dihydrate must adhere to stringent quality control standards set by regulatory bodies such as the U.S. Food and Drug Administration (FDA) and the European Medicines Agency (EMA). These standards ensure that the compound meets specific purity levels and is free from impurities that could compromise its performance or safety profile. Recent updates to these guidelines have emphasized the importance of rigorous testing methods, including high-performance liquid chromatography (HPLC) and mass spectrometry, to ensure compliance with current standards.

In conclusion, Amidotrizoic Acid Dihydrate (CAS No. 50978-11-5) is a critical compound with wide-ranging applications in diagnostic imaging and pharmaceuticals. Its unique chemical structure, coupled with advancements in synthesis and characterization techniques, continues to drive innovation in this field. As research progresses, it is anticipated that Amidotrizoic Acid Dihydrate will find new applications in areas such as targeted therapy and personalized medicine, further solidifying its importance in modern healthcare.

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