Molecular Identity
Gadopentetate Dimeglumine
2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+);bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol)
PubChem CID: 55466
Gadopentetate dimeglumine is a gadolinium coordination entity. It has a role as a MRI contrast agent. It contains a gadopentetate.
2D Structure
Properties
C28H54GdN5O20
Molecular Formula
938.00
Molecular Weight
g/mol
938.2603
Exact Mass
Da
431
TPSA
May have limited oral absorption
14
H-Bond Donors
25
H-Bond Acceptors
631
Complexity
SMILES
Canonical SMILES
SMILES: CNCC(C(C(C(CO)O)O)O)O.CNCC(C(C(C(CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(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.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3]Synonyms(20)
MagnevistGadopentetic acid dimeglumine saltDimeglumine-gadolinium-dtpaCHEBI:31797DTXSID70235367Diethylenetriaminepentaacetic acid dimeglumine salt gadolinium chelateDiethylenetriaminepenta-acetic Acid, GadoliniumMagnevist EnteralMagnograf EnteralDTPA, GadoliniumGd DTPARefChem:57348Dimeglumine, GadopentetateGadolinium DTPA DimeglumineDimeglumine, Gadolinium DTPA
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gadopentetate Dimeglumine
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