Ioxilan

Base Information

• Chemical Name: Ioxilan
• CAS No.: 107793-72-6
• Molecular Formula: C18H24 I3 N3 O8
• Molecular Weight: 791.117
• Hs Code.: 2924296000
• NSC Number: 760056
• UNII: A4YJ7J11TG
• DSSTox Substance ID: DTXSID0048717
• Nikkaji Number: J518.532G
• Wikipedia: Ioxilan
• Wikidata: Q6064819
• NCI Thesaurus Code: C65948
• Metabolomics Workbench ID: 152176
• ChEMBL ID: CHEMBL1201075
• Mol file: 107793-72-6.mol

Synonyms:5-(N-2,3-dihydroxypropylacetamido)-2,4,6-triiodo-N-(2-hydroxyethyl)-N'-(2,3-dihydroxypropyl)isophthalamide;ioxilan;Oxilan

Chemical Property of Ioxilan

Chemical Property:

• Vapor Pressure: 4.95E-29mmHg at 25°C
• Boiling Point: 827.8ºC at 760 mmHg
• Flash Point: 454.4ºC
• PSA: 179.66000
• Density: 2.205 g/cm³
• LogP: -0.20660
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 790.8698
• Heavy Atom Count: 32
• Complexity: 647

Purity/Quality:

98%Min ^*data from raw suppliers

Ioxilan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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)NCCO)I
• Uses: Nonionic iodinated contrast medium. Diagnostic aid (radiopaque medium).

Technology Process of Ioxilan

There total 6 articles about Ioxilan 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: 86.6%

5-acetylamino-N-(2,3-dihydroxy-propyl)-N'-(2-hydroxy-ethyl)-2,4,6-triiodo-isophthalamide (906483-36-1) + 3-monochloro-1,2-propanediol (96-24-2) → ioxilan (107793-72-6)

Guidance literature:

With sodium hydroxide; In water; at 65 ℃; for 11h; Temperature;

Reference yield: 85.0%

5-[N-(2,3-diacetoxypropyl)acetamido]-2,4,6-triiodo-N-(2-acetoxyethyl)-N'-(2,3-dihydroxypropyl)isophthalamide (111453-35-1) → ioxilan (107793-72-6)

Guidance literature:

With methanol; sodium methylate; for 0.5h;

Reference yield: 73.0%

→ ioxilan (107793-72-6) + 5-acetamido-2,4,6-triiodo-N-(2-acetoxyethyl)-N'-(2,3-diacetoxypropyl)-isophthalamide (111453-24-8)

Guidance literature:

upstream raw materials:

5-[N-(2,3-diacetoxypropyl)acetamido]-2,4,6-triiodo-N-(2-acetoxyethyl)-N'-(2,3-dihydroxypropyl)isophthalamide

5-acetylamino-N-(2,3-dihydroxy-propyl)-N'-(2-hydroxy-ethyl)-2,4,6-triiodo-isophthalamide

3-monochloro-1,2-propanediol

Downstream raw materials:

di-isopropylidenyl ioxilan

Refernces

• 1、 -. "PROCESS FOR THE ATOMIZATION OF IOXILAN". Page/Page column 8; Fig.1. . Retrieved 2008/06/13.