MOLI000469

Molecular Formula: C₂₆H₄₉GdN₅O₁₂⁺³

InChI: InChI=1/C26H49N5O12.Gd/c1-40-13-9-30(10-14-41-2)22(32)17-28(20-25(36)37)7-5-27(19-24(34)35)6-8-29(21-26(38)39)18-23(33)31(11-15-42-3)12-16-43-4;/h5-21H2,1-4H3,(H,34,35)(H,36,37)(H,38,39);/q;+3/f/h34,36,38H;

InChIKey: InChIKey=MUGXEUQXJBQDTQ-HBJUEPIFCS
SMILES: COCCN(CCOC)C(=O)CN(CCN(CCN(CC(=O)N(CCOC)CCOC)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]

Names:
    MOLI000469
    2-[bis[2-[bis(2-methoxyethyl)carbamoylmethyl-(carboxymethyl)amino]ethyl]amino]acetic acid; gadolinium(+3) cation

Registries:
    PubChem CID 450074
    PubChem ID 458