IUPAC name
3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
SMILES
CNC(=O)C1=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
Common name
Iothalamic acid
IUPAC name
3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
SMILES
CNC(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
INCHI
InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)
FORMULA
C11H9I3N2O4
Common name
Iothalamic acid
IUPAC name
3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic 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
