Diatrizoate meglumine

Base Information

• Chemical Name: Diatrizoate meglumine
• CAS No.: 131-49-7
• Deprecated CAS: 69426-25-1,7170-91-4,146-69-0,63626-48-2,19766-67-7
• Molecular Formula: C11H9I3N2O4•C7H17NO5
• Molecular Weight: 809.133
• European Community (EC) Number: 205-024-7
• UNII: 3X9MR4N98U
• DSSTox Substance ID: DTXSID20897171
• Wikidata: Q27114690
• NCI Thesaurus Code: C29247
• RXCUI: 3320
• ChEMBL ID: CHEMBL1200839
• Mol file: 131-49-7.mol

Synonyms:Amidotricoic Acid;Amidotrizoate, Meglumine;Amidotrizoic Acid;Angiografin;Diatrizoate Meglumine;Diatrizoate Methylglucamine;Diatrizoate, Meglumine;Diatrizoate, Methylglucamine;Diatrizoic Acid Methylglucamine;Gastrograffin;Gastrografin;Gastrographin;Ioxeol;Meglumine Amidotrizoate;Meglumine Diatrizoate;Meglumine, Diatrizoate;Methylglucamine Diatrizoate;Methylglucamine, Diatrizoate;Methylglucamine, Diatrizoic Acid;Reno 60;Reno M Dip;Reno M-Dip;Reno MDip;Renograffin;Renografin;Renografin M 76;Renografin M-76;Renografin M76;Sinografin;Triombrast;Triombrin;Urografin;Urografin 76;Urovist;Verografin

Chemical Property of Diatrizoate meglumine

Chemical Property:

• Vapor Pressure: 6.19E-16mmHg at 25°C
• Melting Point: 189-193° (dec)
• Boiling Point: 614.1°Cat760mmHg
• Flash Point: 325.2°C
• PSA: 215.66000
• Density: g/cm³
• LogP: 1.44700
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 808.8803
• Heavy Atom Count: 33
• Complexity: 525

Purity/Quality:

47% ^*data from raw suppliers

D ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CNCC(C(C(C(CO)O)O)O)O
• Isomeric SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• Recent EU Clinical Trials: Randomized and prospective clinical trial about the therapeutic use of diatrizoic acid (Gastrografin?) in postoperative ileus.
• Uses: Medicine (radiopaque medium). Meglumine diatrizoate can be used to treat long-term Taenia saginata infection. It has also been used to tag fecal matter and bodily fluids in a study investigating preoperative examination techniques in patients with acute colon obstruction caused by colorectal cancer.