MOLI000472
Molecular Formula:
C28H53GdN5O14+3
InChI: InChI=1/C28H53N5O14.Gd/c1-44-13-7-32(9-15-46-17-11-34)24(36)19-30(22-27(40)41)5-3-29(21-26(38)39)4-6-31(23-28(42)43)20-25(37)33(8-14-45-2)10-16-47-18-12-35;/h34-35H,3-23H2,1-2H3,(H,38,39)(H,40,41)(H,42,43);/q;+3/f/h38,40,42H;
InChIKey: InChIKey=GURKPPLQHBYMEZ-WCPDJTFOCR
SMILES: COCCN(CCOCCO)C(=O)CN(CCN(CCN(CC(=O)N(CCOC)CCOCCO)CC(=O)O)CC(=O)O)CC(=O)O.[Gd+3]
Names:
MOLI000472
2-[bis[2-[carboxymethyl-[[2-(2-hydroxyethoxy)ethyl-(2-methoxyethyl)carbamoyl]methyl]amino]ethyl]amino]acetic acid; gadolinium(+3) cation
Registries:
PubChem CID 450080
PubChem ID 461
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