Iothalamate meglumine

Base Information

• Chemical Name: Iothalamate meglumine
• CAS No.: 13087-53-1
• Deprecated CAS: 519-25-5,16240-57-6
• Molecular Formula: C11H9I3N2O4•C7H17NO5
• Molecular Weight: 809.133
• European Community (EC) Number: 235-998-9
• UNII: XUW72GOP7W
• DSSTox Substance ID: DTXSID10926949
• NCI Thesaurus Code: C47568
• RXCUI: 5971
• ChEMBL ID: CHEMBL1201125
• Mol file: 13087-53-1.mol

Synonyms:Conray 60;Iotalamate Meglumine;Iotalamate, Meglumine;Iotalamate, Methylglucamine;Iothalamate Meglumine;Iothalamate, Meglumine;Iothalamate, Methylglucamine;Iothalamic Acid Meglumine;Iothalamic Acid Methylglucamine;Meglumine Iotalamate;Meglumine Iothalamate;Meglumine, Iotalamate;Meglumine, Iothalamate;Meglumine, Iothalamic Acid;Methylglucamine Iotalamate;Methylglucamine Iothalamate;Methylglucamine, Iothalamic Acid

Chemical Property of Iothalamate meglumine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 967.6°C at 760 mmHg
• Flash Point: 539°C
• PSA: 215.66000
• LogP: 0.77350
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 808.8803
• Heavy Atom Count: 33
• Complexity: 555

Purity/Quality:

99% ^*data from raw 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)C(=O)NC)I.CNCC(C(C(C(CO)O)O)O)O
• Isomeric SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
• Uses: Diagnostic aid (radiopaque medium).
• Therapeutic Function: Diagnostic aid (radiopaque medium)