MOLI000478

Molecular Formula: C26H51GdN7O12+3


InChI: InChI=1/C26H51N7O12.Gd/c34-13-9-29(10-14-35)3-1-27-22(38)17-32(20-25(42)43)7-5-31(19-24(40)41)6-8-33(21-26(44)45)18-23(39)28-2-4-30(11-15-36)12-16-37;/h34-37H,1-21H2,(H,27,38)(H,28,39)(H,40,41)(H,42,43)(H,44,45);/q;+3/f/h27-28,40,42,44H;

InChIKey: InChIKey=RTGXGNAZUFVJPM-VZZULMSNCZ
SMILES: C(CN(CCO)CCO)NC(=O)CN(CCN(CCN(CC(=O)NCCN(CCO)CCO)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]

Names:
    MOLI000478
    2-[bis[2-[2-(bis(2-hydroxyethyl)amino)ethylcarbamoylmethyl-(carboxymethyl)amino]ethyl]amino]acetic acid; gadolinium(+3) cation

Registries:
    PubChem CID 450092
    PubChem ID 467