2-[[1-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxymethyl)amino]-3-(4-ethoxyphenyl)propan-2-yl]-(carboxymethyl)amino]acetate; gadolinium(+3) cation
Molecular Formula:
C23H30GdN3O11
InChI: InChI=1/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3/fC23H30N3O11.Gd/h27,33H;/q-3;m
InChIKey: InChIKey=PCZHWPSNPWAQNF-SRCOFYRYCW
SMILES: CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)O)N(CC(=O)O)CC(=O)[O-].[Gd+3]
Names:
2-[[1-[2-(bis(carboxylatomethyl)amino)ethyl-(carboxymethyl)amino]-3-(4-ethoxyphenyl)propan-2-yl]-(carboxymethyl)amino]acetate; gadolinium(+3) cation
Registries:
PubChem CID 9939762
PubChem ID 14912979
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