MOLI000470

Molecular Formula: C24H45GdN5O12+3


InChI: InChI=1/C24H45N5O12.Gd/c1-40-13-9-28(7-11-30)20(32)15-26(18-23(36)37)5-3-25(17-22(34)35)4-6-27(19-24(38)39)16-21(33)29(8-12-31)10-14-41-2;/h30-31H,3-19H2,1-2H3,(H,34,35)(H,36,37)(H,38,39);/q;+3/f/h34,36,38H;

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

Names:
    MOLI000470
    2-[bis[2-[carboxymethyl-[(2-hydroxyethyl-(2-methoxyethyl)carbamoyl)methyl]amino]ethyl]amino]acetic acid; gadolinium(+3) cation

Registries:
    PubChem CID 450076
    PubChem ID 459