Ioxaglate meglumine

Base Information

• Chemical Name: Ioxaglate meglumine
• CAS No.: 59018-13-2
• Molecular Formula: C31H38I6N6O13
• Molecular Weight: 1464.0926
• European Community (EC) Number: 261-561-7
• UNII: 75JR975T11
• ChEMBL ID: CHEMBL1200508
• NCI Thesaurus Code: C47571

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 Ioxaglate meglumine

Chemical Property:

• Boiling Point: 1210°Cat760mmHg
• Flash Point: 685.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 16
• Exact Mass: 1463.6765
• Heavy Atom Count: 56
• Complexity: 1220

Purity/Quality:

99% ^*data from raw suppliers

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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.CNCC(C(C(C(CO)O)O)O)O
• Isomeric 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.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

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