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4901-31-9

3-((2-chloroacetyl)amino)-2,4,6-triiodobenzoic acid is a complex organic compound with the molecular formula C8H5Cl2I3NO3. It is characterized by a benzoic acid backbone, with three iodine atoms attached at the 2, 4, and 6 positions, and an amino group connected to a chloroacetyl group at the 3 position. This molecule is known for its potential applications in the pharmaceutical industry, particularly as an intermediate in the synthesis of radiopaque contrast agents used in medical imaging. The presence of multiple iodine atoms enhances its X-ray absorption properties, making it suitable for such applications. The compound's chemical structure and properties make it a valuable component in the development of diagnostic tools that rely on the visualization of internal body structures.

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  • 4901-31-9 Structure

  • Basic information

    1. Product Name: 3-<(2-chloroacetyl)amino>-2,4,6-triiodobenzoic acid
    2. Synonyms: 3-<(2-chloroacetyl)amino>-2,4,6-triiodobenzoic acid
    3. CAS NO:4901-31-9
    4. Molecular Formula:
    5. Molecular Weight: 591.31
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 4901-31-9.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-<(2-chloroacetyl)amino>-2,4,6-triiodobenzoic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-<(2-chloroacetyl)amino>-2,4,6-triiodobenzoic acid(4901-31-9)
    11. EPA Substance Registry System: 3-<(2-chloroacetyl)amino>-2,4,6-triiodobenzoic acid(4901-31-9)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 4901-31-9(Hazardous Substances Data)

4901-31-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4901-31-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,9,0 and 1 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 4901-31:
(6*4)+(5*9)+(4*0)+(3*1)+(2*3)+(1*1)=79
79 % 10 = 9
So 4901-31-9 is a valid CAS Registry Number.

4901-31-9Relevant articles and documents

Iodinated paramagnetic chelates, and their use as contrast agents

-

, (2008/06/13)

Novel compounds containing a polyiodinated aromatic or heteroaromatic residue and their chelate complexes with ions of metal elements with atomic number from 20 to 31, 39, from 42 to 44, 49 and from 57 to 83, and their salts with physiologically tolerable

A new approach to hepatospecific mri contrast agents: gadolinium complexes conjugated to iodinated synthons

Anelli, Pier Lucio,Calabi, Luisella,De Haen, Christoph,Fedeli, Franco,Losi, Pietro,Murru, Marcella,Uggeri, Fulvio

, p. 89 - 97 (2007/10/03)

The use of biliary iodinated X-ray contrast agents as an address moiety to transport gadolinium complexes into hepatocytes has been investigated. A series of conjugates containing a gadolinium chelating subunit and an iodinated subunit has been designed and synthesised. This series takes into account structural features such as: nature of the iodinated address moiety, overall charge of the conjugate and distance between the two subunits. Preliminary physico-chemical and pharmacological screenings show, for conjugates in which the gadolinium complex is linked through a spacer to a unit of iopanoic acid: i) r1 values of more than 18 (mM s)-1 in human serum, reflecting a strong interaction with human serum albumin; ii) biliary elimination in rats greater than 65%. These results indicate that iopanoic acid can be used successfully as an address for the preparation of conjugates which are promising candidates as hepatospecific MRI contrast agents.

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