Iotroxate methylglucmine salt

Base Information

• Chemical Name: Iotroxate methylglucmine salt
• CAS No.: 72704-51-9
• Molecular Formula: C22H18I6N2O9•C7H17NO5
• Molecular Weight: 1411.07
• DSSTox Substance ID: DTXSID00993524
• Mol file: 72704-51-9.mol

Synonyms:Iotroxate methylglucmine salt;72704-51-9;D-Glucitol, 1-deoxy-1-(methylamino)-, 3,3'-(oxybis(2,1-ethanediyloxy(1-oxo-2,1-ethanediyl)imino))bis(2,4,6-triiodobenzoate) (1:1) (salt);DTXSID00993524;LS-71361;2,2'-{Oxybis[(ethane-2,1-diyl)oxy(1-hydroxyeth-2-yl-1-ylidene)azanylylidene]}bis(3,4,6-triiodobenzoic acid)--1-deoxy-1-(methylamino)hexitol (1/1)

Chemical Property of Iotroxate methylglucmine salt

Chemical Property:

• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 20
• Exact Mass: 1410.6387
• Heavy Atom Count: 52
• Complexity: 927

Purity/Quality:

99% ^*data from raw suppliers

IOTROXIC ACID MEGLUMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNCC(C(C(C(CO)O)O)O)O.C1=C(C(=C(C(=C1I)I)NC(=O)COCCOCCOCC(=O)NC2=C(C(=CC(=C2I)I)I)C(=O)O)C(=O)O)I
• Isomeric SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=C(C(=C(C(=C1I)I)NC(=O)COCCOCCOCC(=O)NC2=C(C(=CC(=C2I)I)I)C(=O)O)C(=O)O)I