MF: C18H33GdN4O10
MW: 622.7g/mol
IUPAC Name: 2-[4,10-bis(carboxylatomethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+);hydrate
Isomeric SMILES: C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].O.[Gd+3]
InChIKey: LAKUDJWFTFYTQQ-UHFFFAOYSA-K
InChI: InChI=1S/C18H34N4O9.Gd.H2O/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);;1H2/q;+3;/p-3
