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Weight821.141 g/mol
FormulaC19H26I3N3O9
Hydrogen Acceptors9
Hydrogen Donors8
Aromatic Rings1
Rotatable Bonds12

iohexol (66108-95-0)

Omnipaque  ·  Nycodenz  ·  Exypaque

Score: #1095 in Biochemistry , #2817 in Biology , #3528 in Chemistry
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Alternate Names

  • Omnipaque
  • Nycodenz
  • Exypaque
  • Iohexol 350
  • Compound 545
  • SMILES
    CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
  • InChIKey
    NTHXOOBQLCIOLC-UHFFFAOYSA-N

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Synthesis

BAMBRGWPTSTWLG-UHFFFAOYSA-N  +  3-Chloro-1,2-propanediol (Alkylation of primary amines)
BAMBRGWPTSTWLG-UHFFFAOYSA-N  +  Reactant (Amide N-alkylation)
ACETYL CHLORIDE  +  Reactant (Schotten-Baumann amide from acid)
Synthesis of iohexol ›

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