Ioxitalamic acid

Base Information

• Chemical Name: Ioxitalamic acid
• CAS No.: 28179-44-4
• Molecular Formula: C12H11I3N2O5
• Molecular Weight: 643.943
• Hs Code.: 2924299090
• European Community (EC) Number: 248-887-5
• UNII: 967RDI7Z6K
• DSSTox Substance ID: DTXSID60182457
• Nikkaji Number: J21.640B
• Wikipedia: Ioxitalamic_acid
• Wikidata: Q3604532
• NCI Thesaurus Code: C65949
• Metabolomics Workbench ID: 154253
• ChEMBL ID: CHEMBL2107239
• Mol file: 28179-44-4.mol

Synonyms:5-acetamido-N-(2- hydroxyethyl)-2,4,6-triiodoisophthalamic acid;Agelix;ioxitalamic acid;ioxitalamic acid, sodium salt;ioxithalamate;sodium ioxithalamate;Telebrix;Telebrix 38;Vasobrix

Chemical Property of Ioxitalamic acid

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 1.99E-14mmHg at 25°C
• Melting Point: 253-255?C
• Boiling Point: 582.835 °C at 760 mmHg
• PKA: 0.85±0.10(Predicted)
• Flash Point: 306.288 °C
• PSA: 115.73000
• Density: 2.519 g/cm³
• LogP: 2.34300
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly, Heated), Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 643.7802
• Heavy Atom Count: 22
• Complexity: 451

Purity/Quality:

99% ^*data from raw suppliers

IoxitalamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I
• Uses: A substituted 2,4,6-triiodobenzoic acid, an excellent contrast media for ventriculography, radiculography, lumbar myelography and x-rays of the cardiovascular system.
• Therapeutic Function: Diagnostic aid

Technology Process of Ioxitalamic acid

There total 1 articles about Ioxitalamic acid 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:

→ ioxitalamic acid (28179-44-4)

Guidance literature:

entspr. Amin, Acetanhydrid/Eg.;

Reference yield:

ioxitalamic acid (28179-44-4) + 3-monochloro-1,2-propanediol (96-24-2) → 5-[N-(2,3-dihydroxypropyl)acetamido]-2,4,6-triiodo-N-(2-hydroxyethyl)-isophthalamic acid

Guidance literature:

ioxitalamic acid; 3-monochloro-1,2-propanediol; With sodium hydroxide; In water; at 85 - 90 ℃; for 5.5h; pH=10.5 - 10.6;

With acetic acid; In water; pH=5;

Refernces

• 1、 -. "Iodinated aromatic compounds". . . Retrieved 2008/06/13.
• 2、 -. "Iodinated benzoyl acetals and ketals for x-ray imaging". . . Retrieved 2008/06/13.