Ioxaglic acid

Base Information

• Chemical Name: Ioxaglic acid
• CAS No.: 59017-64-0
• Molecular Formula: C24H21I6N5O8
• Molecular Weight: 1268.90
• Hs Code.: 2924296000
• European Community (EC) Number: 261-560-1
• UNII: Z40X7EI2AF
• DSSTox Substance ID: DTXSID5023166
• Nikkaji Number: J11.163E
• Wikipedia: Ioxaglic_acid
• Wikidata: Q6064817
• NCI Thesaurus Code: C61793
• Metabolomics Workbench ID: 54440
• ChEMBL ID: CHEMBL1201291
• Mol file: 59017-64-0.mol

Synonyms:Hexabrix;Ioxaglate;Ioxaglate Meglumine;Ioxaglate Sodium;Ioxaglate, Methylglucamine;Ioxaglic Acid;Ioxaglic Acid Monosodium Salt;Ioxaglic Acid, Calcium Salt (2:1);Meglumine, Ioxaglate;Methylglucamine Ioxaglate;P-286 (Contrast Media);P286 (Contrast Media)

Chemical Property of Ioxaglic acid

Chemical Property:

• Vapor Pressure: 8.09E-34mmHg at 25°C
• Melting Point: 302°C
• Boiling Point: 887.9°C at 760 mmHg
• Flash Point: 490.8°C
• PSA: 194.24000
• Density: 2.545g/cm³
• LogP: 4.69100
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Very slightly soluble in water, slightly soluble in ethanol (96 per cent), very slightly soluble in methylene chloride. It dissolves in dilute solutions of alkali hydroxides.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 1268.5658
• Heavy Atom Count: 43
• Complexity: 1090

Purity/Quality:

95-99% ^*data from raw suppliers

Ioxaglic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I
• Recent ClinicalTrials: Effects Contrast on Platelet Activity, Thrombosis and Fibrinolysis in Patients Undergoing Coronary Angiography
• Uses: Ioxaglic Acid is used as a contrast medium during coronary angiograpy. Diagnostic aid(radiopaque medium).