MOLI000473
Molecular Formula:
C26H49GdN5O14+3
InChI: InChI=1/C26H49N5O14.Gd/c32-9-5-30(7-13-44-15-11-34)22(36)17-28(20-25(40)41)3-1-27(19-24(38)39)2-4-29(21-26(42)43)18-23(37)31(6-10-33)8-14-45-16-12-35;/h32-35H,1-21H2,(H,38,39)(H,40,41)(H,42,43);/q;+3/f/h38,40,42H;
InChIKey: InChIKey=HSEBGZWZUBLWHP-WCPDJTFOCM
SMILES: C(CN(CC(=O)N(CCO)CCOCCO)CC(=O)O)N(CCN(CC(=O)N(CCO)CCOCCO)CC(=O)O)CC(=O)O.[Gd+3]
Names:
MOLI000473
2-[bis[2-[carboxymethyl-[[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)carbamoyl]methyl]amino]ethyl]amino]acetic acid; gadolinium(+3) cation
Registries:
PubChem CID 450082
PubChem ID 462
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