IUPAC name
3,5-diacetamido-2,4,6-triiodobenzoic acid
SMILES
CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
Compound class
Contrast Media; Watersoluble, Nephrotropic, High Osmolar X-Ray Contrast Media; X-Ray Contrast Media, Iodinated;
Therapeutic area
Used alone or in combination for a wide variety of diagnostic imaging methods; including angiography; urography; cholangiography; computed tomography; hysterosalpingography; and retrograde pyelography. It can be used for imaging the gastrointestinal tract in patients allergic to barium.
Common name
Diatrizoate
IUPAC name
3,5-diacetamido-2,4,6-triiodobenzoic acid
SMILES
CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
INCHI
InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)
FORMULA
C11H9I3N2O4
Common name
Diatrizoate
IUPAC name
3,5-diacetamido-2,4,6-triiodobenzoic acid
Molecular weight
613.914
clogP
3.478
clogS
-5.076
HBond Acceptor
4
HBond Donor
3
Total Polar Surface Area
95.5
Number of Rings
1
Rotatable Bond
3
