MOLI000448

Molecular Formula: C₂₄H₃₃GdN₅O₈⁺³

InChI: InChI=1/C24H33N5O8.Gd/c1-16-3-5-20(30)18(25-16)11-28(14-23(34)35)9-7-27(13-22(32)33)8-10-29(15-24(36)37)12-19-21(31)6-4-17(2)26-19;/h3-6,30-31H,7-15H2,1-2H3,(H,32,33)(H,34,35)(H,36,37);/q;+3/f/h32,34,36H;

InChIKey: InChIKey=ZZVUAKNMPLQNAY-ADKMWNFMCH
SMILES: CC1=NC(=C(C=C1)O)CN(CCN(CCN(CC2=C(C=CC(=N2)C)O)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]

Names:
    MOLI000448
    2-[bis[2-[carboxymethyl-[(3-hydroxy-6-methyl-pyridin-2-yl)methyl]amino]ethyl]amino]acetic acid; gadolinium(+3) cation

Registries:
    PubChem CID 450051
    PubChem ID 437