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Gadobutrol

SZ CAT No SZ-G031001
CAS No 770691-21-9
Mol.F. C18H31GdN4O9
Mol.Wt. 604.7
Inv. Status Custom Synthesis
Rel. CAS No 198637-52-4 (H2O salt)


Chemical Name: Gadolinium 2,2′,2″-[10-[(1RS,2SR)-2,3-dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate

Smiles: O[C@]([H])(CO)[C@](CO)([H])N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1.[Gd+3]

Inchi: InChI=1/C25H35FN2O3/c1-27(2)15-5-7-24(30)19-8-13-23(20(17-19)18-29)25(31,14-6-16-28(3)4)21-9-11-22(26)12-10-21/h8-13,17,29,31H,5-7,14-16,18H2,1-4H3