IUPAC name
gadolinium(3+) ion 2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate
SMILES
[Gd+3].OC(=O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1
Compound class
Contrast Media; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media;
Therapeutic area
Common name
Gadoteric acid
IUPAC name
gadolinium(3+) ion 2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate
SMILES
[Gd+3].OC(=O)CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1
INCHI
InChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3
FORMULA
C16H25GdN4O8
Common name
Gadoteric acid
IUPAC name
gadolinium(3+) ion 2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate
Molecular weight
401.392
clogP
-2.272
clogS
-0.366
HBond Acceptor
12
HBond Donor
1
Total Polar Surface Area
170.65
Number of Rings
1
Rotatable Bond
8
