Gadoterate Meglumine
2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Molecular Identity
Gadoterate Meglumine
2-[4,7-bis(carboxylatomethyl)-10-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
PubChem CID: 6918037
2D Structure
Properties
C23H42GdN5O13
Molecular Formula
753.90
Molecular Weight
g/mol
754.2020
Exact Mass
Da
284
TPSA
May have limited oral absorption
7
H-Bond Donors
18
H-Bond Acceptors
644
Complexity
SMILES
Canonical SMILES
SMILES: CNCC(C(C(C(CO)O)O)O)O.C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]Isomeric SMILES
SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]Synonyms(20)
DotaremMagnescopeP449P-449D-Glucitol, 1-deoxy-1-(methylamino)-, (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-kappan1,kappan4,kappan7,kappan10,kappao1,kappao4,kappao7,kappao10)gadolinate(1-) (1:1)D-Glucitol, 1-deoxy-1-(methylamino)-, [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-kappaN1,kappaN4,kappaN7,kappaN10,kappaO1,kappaO4,kappaO7,kappaO10]gadolinate(1-) (1:1)CLARISCANRefChem:55244DTXCID20134779892943-93-6CHEBI:73727DTXSID80918856Gadolinium-dota meglumineGadoterate MeglumineGd-dota meglumine
Data from PubChem (NCBI)
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