Gadobutrol

Molecular Formula: C18H31GaN4O9


InChI: InChI=1/C18H34N4O9.Ga/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);/q;+3/p-3/t14-,15-;/m1./s1/fC18H31N4O9.Ga/q-3;m

InChIKey: InChIKey=LNUSHJPTOIHLSF-GVDJTLHKDV
SMILES: C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].[Ga+3]

Names:
    Gadobutrol [INN]
    Gadobutrol.
    Gadobutrol
    Gadolinium, (10-(2,3-Dihydroxy-1-(hydroxymethyl)propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-N1,N4,N7,N10,O1,O4,O7)-
    (10-((1RS,2SR)-2,3-Dihydroxy-1-(hydroxymethyl)propyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-))gadolinium
    138071-82-6
    2-[4,10-bis(carboxylatomethyl)-7-[(2R,3R)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate; gallium(+3) cation

Registries:
    PubChem CID 72057
    PubChem ID 214320