IUPAC name
2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid
SMILES
CCC(CC1=C(I)C(N)=C(I)C=C1I)C(O)=O
Compound class
Contrast Media; X-Ray Contrast Media, Iodinated; Watersoluble, Hepatotropic X-Ray Contrast Media;
Therapeutic area
Common name
Iopanoic acid
IUPAC name
2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid
SMILES
CCC(CC1=C(I)C(N)=C(I)C=C1I)C(O)=O
INCHI
InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
FORMULA
C11H12I3NO2
Common name
Iopanoic acid
IUPAC name
2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid
Molecular weight
570.932
clogP
4.692
clogS
-5.092
HBond Acceptor
2
HBond Donor
3
Total Polar Surface Area
63.32
Number of Rings
1
Rotatable Bond
4
