MOLI000471

Molecular Formula: C24H45GdN5O12+3


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

InChIKey: InChIKey=KIKRGFJCAORTCP-HBJUEPIFCK
SMILES: CN(CCOCCO)C(=O)CN(CCN(CCN(CC(=O)N(C)CCOCCO)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]

Names:
    MOLI000471
    2-[bis[2-[carboxymethyl-[[2-(2-hydroxyethoxy)ethyl-methyl-carbamoyl]methyl]amino]ethyl]amino]acetic acid; gadolinium(+3) cation

Registries:
    PubChem CID 450078
    PubChem ID 460