IUPAC name
3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acid
SMILES
CN(C(C)=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
For use as a contrast medium.
Common name
Metrizoic acid
IUPAC name
3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acid
SMILES
CN(C(C)=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
INCHI
InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)
FORMULA
C12H11I3N2O4
Common name
Metrizoic acid
IUPAC name
3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acid
Molecular weight
627.940
clogP
3.415
clogS
-4.728
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
86.71
Number of Rings
1
Rotatable Bond
4
