Iotroxate meglumine

Base Information

• Chemical Name: Iotroxate meglumine
• CAS No.: 68890-05-1
• Molecular Formula: C29H35I6N3O14
• Molecular Weight: 1411.0267
• UNII: 389136RRO0
• DSSTox Substance ID: DTXSID80218969
• Wikidata: Q27256767
• ChEMBL ID: CHEMBL4297078
• Mol file: 68890-05-1.mol

Synonyms:3,3'-(trioxaundecadioyldiamino)-bis-2,4,6-triiodobenzoic acid meglumine;Biliscopin;Bilisegrol;Chologram;iotroxamide;iotroxic acid meglumine;iotroxin acid meglumine;meglumine iotroxinate;SH 273

Chemical Property of Iotroxate meglumine

Chemical Property:

• Boiling Point: 938.8°Cat760mmHg
• Flash Point: 521.6°C
• PSA: 280.65000
• Density: g/cm³
• LogP: 3.66920
• 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:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC(C(C(C(CO)O)O)O)O.C1=C(C(=C(C(=C1I)NC(=O)COCCOCCOCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)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)NC(=O)COCCOCCOCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I

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