2-[4,10-bis(carboxylatomethyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate; gadolinium(+3) cation

Molecular Formula: C16H25GdN4O8


InChI: InChI=1/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3/fC16H25N4O8.Gd/h21H;/q-3;m

InChIKey: InChIKey=GFSTXYOTEVLASN-PWTXUUBGCK
SMILES: C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Names:
    2-[4,10-bis(carboxylatomethyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate; gadolinium(+3) cation

Registries:
    PubChem CID 158536
    PubChem ID 10253358