Iohexol

Base Information

• Chemical Name: Iohexol
• CAS No.: 66108-95-0
• Molecular Formula: C19H26I3N3O9
• Molecular Weight: 821.144
• Hs Code.: 2924296000
• European Community (EC) Number: 266-164-2
• UNII: 4419T9MX03
• DSSTox Substance ID: DTXSID6023157
• Nikkaji Number: J18.922G
• Wikipedia: Iohexol
• Wikidata: Q410683
• NCI Thesaurus Code: C65939
• RXCUI: 5956
• Metabolomics Workbench ID: 43519
• ChEMBL ID: CHEMBL1200455
• Mol file: 66108-95-0.mol

Synonyms:Compound 545;Exypaque;Iohexol;Iohexol 350;Nycodenz;Omnipaque

Chemical Property of Iohexol

Chemical Property:

• Appearance/Colour: White solid
• Melting Point: 254-256 °C
• Boiling Point: 891.5 °C at 760 mmHg
• PKA: 11.35±0.46(Predicted)
• Flash Point: 493 °C
• PSA: 199.89000
• Density: 2.2 g/cm³
• LogP: -0.84570
• Storage Temp.: −20°C
• Solubility.: Very soluble in water, freely soluble in methanol, practically insoluble in methylene chloride.
• XLogP3: -3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 820.8803
• Heavy Atom Count: 34
• Complexity: 653

Purity/Quality:

Above 99% ^*data from raw suppliers

Iohexol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
• Recent ClinicalTrials: Development of a Bayesian Estimator for Calculating Plasma Iohexol Clearance
• Recent EU Clinical Trials: Proposta di studio per valutare l’efficacia di Obinutuzumab, un anticorpo anti-CD20, in pazienti con nefropatia membranosa intolleranti, resistenti o dipendenti alla terapia con Rituximab (studio ORION)
• 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: It is the raw material for the production of water-soluble, non-ionic X-CT contrast agent in pharmaceutical factory. The trade name of this contrast agent is Omnipaque. This contrast agent is usually injected into the vein before CT angiography to be used for angiography, urinary system, spinal cord and joint, lymphatic system angiography, with advantages of low contrast density, low toxicity and good tolerance type. Iohexol is also currently one of the best contrast agents. The developed countries have completely used it to replace ionography agent. It is also a diagnostic drug. It can be used as non-ionic X-CT contrast agent. Imaging agent antibacterial Imaging agent.

Technology Process of Iohexol

There total 14 articles about Iohexol 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: 86.3%

N,N'-bis(2,3-dihydroxypropyl)-5-acetamido-2,4,6-triiodoisophthalamide (31127-80-7) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → iohexol (66108-95-0) + iodixanol (92339-11-2)

Guidance literature:

With hydrogenchloride; boric acid; potassium hydroxide; In water; pH=10 - 11; Product distribution / selectivity; Industry scale;

Reference yield: 86.3%

→ N,N'-bis(2,3-dihydroxypropyl)-5-acetamido-2,4,6-triiodoisophthalamide (31127-80-7) + iohexol (66108-95-0) + iodixanol (92339-11-2)

Guidance literature:

Purification / work up;

Reference yield:

→ dermatan sulfate (24967-94-0)

Guidance literature:

upstream raw materials:

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

epichlorohydrin

3-monochloro-1,2-propanediol

butan-1-ol

Downstream raw materials:

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

Refernces

• 1、 -. "Method for preparing iohexol". Paragraph 0028-0049. . Retrieved 2019/08/07.
• 2、 -. "Energy-saving environment-friendly continuous preparation method of iohexol". Paragraph 0027; 0033; 0034. . Retrieved 2018/07/28.