Iomeprol

Base Information

• Chemical Name: Iomeprol
• CAS No.: 78649-41-9
• Molecular Formula: C17H22I3N3O8
• Molecular Weight: 777.09
• UNII: 17E17JBP8L
• DSSTox Substance ID: DTXSID1049061
• Nikkaji Number: J277.762B
• Wikipedia: Iomeprol
• Wikidata: Q6062808
• NCI Thesaurus Code: C166471
• RXCUI: 2606484
• Metabolomics Workbench ID: 54438
• ChEMBL ID: CHEMBL2107214
• Mol file: 78649-41-9.mol

Synonyms:Imeron;iomeprol;iomeprol 350;iomeprol 400;Iomeron

Chemical Property of Iomeprol

Chemical Property:

• Appearance/Colour: White Solid
• Vapor Pressure: 5.95E-28mmHg at 25°C
• Melting Point: 263-265 °C
• Refractive Index: 1.734
• Boiling Point: 813.185 °C at 760 mmHg
• PKA: 11.36±0.46(Predicted)
• Flash Point: 445.599 °C
• PSA: 179.66000
• Density: 2.27 g/cm³
• LogP: -0.59670
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 776.8541
• Heavy Atom Count: 31
• Complexity: 591

Purity/Quality:

99%MIN ^*data from raw suppliers

Iomeprol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO
• Recent ClinicalTrials: Xenetix? 350: Comparative Assessment of Image Quality for Coronary CT Angiography
• Recent EU Clinical Trials: 'Evaluation of efficacy and accuracy of a CTA low dose protocol for Pazients with EVAR'
• Recent NIPH Clinical Trials: Evaluation of the tumor blood flow by computed tomography(CT)perfusion imaging and an effect of chemotherapy or radiotherapy for esophageal cancer
• Uses: Diagnostic aid (radiopaque medium).

Technology Process of Iomeprol

There total 18 articles about Iomeprol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

N1,N3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyacetamido)-2,4,6-triiodobenzene-1,3-dicarboxamide (77868-40-7) + methyl iodide (74-88-4) → iomeprol (78649-41-9)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl acetamide; at 10 - 60 ℃; for 16h;

Reference yield: 90.0%

2-((3,5-bis((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodophenyl)(methyl)amino)-2-oxoethylacetate → iomeprol (78649-41-9)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 3h; Reagent/catalyst; Temperature;

Reference yield: 88.0%

5-[N-methyl-2-chloroacetamido]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide → iomeprol (78649-41-9)

Guidance literature:

With sodium acetate; In water; for 17h; Time; Reflux; Large scale;

upstream raw materials:

5-aminoisophthalic acid

5-methylaminoisophthalic acid dimethyl ester

5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

5-amino-N,N'-bis[2,3-bis(acetyloxy)propyl]2,4,6-triiodo-1,3-benzenedicarboxamide

Refernces

• 1、 -. "PROCESS FOR THE PROPARATION OF CONTRAST MEDIUM IOMEPROL". Paragraph 0032; 0060-0075. . Retrieved 2020/06/04.
• 2、 -. "New Methods for Preparing an Intermediate of Contrast Medium and Methods for Preparing Contrast Medium". Paragraph 0133-0136. . Retrieved 2020/10/14.