Iohexol

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 86
Total Number of Articles : 110
PubChem 3730
Molecular Formula

C19H26I3N3O9

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

InChI

InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)

synonyms
  • iohexol
  • 66108-95-0
  • Omnipaque
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Properties
Property Value
MW 821.1 g/mol
HBD 8
HBA 9
Rotatable Bond Count 12
Exact Mass 820.8803 g/mol
Monoisotopic Mass 820.8803 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 653
xlogp -3
Topological Polar Surface Area 200