Gd-EOB-DTPA
2-[[(2S)-2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydron
Molecular Identity
Gd-EOB-DTPA
2-[[(2S)-2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydron
PubChem CID: 56841043
2D Structure
Properties
C23H30GdN3O11
Molecular Formula
681.70
Molecular Weight
g/mol
682.1121
Exact Mass
Da
220
TPSA
May have limited oral absorption
2
H-Bond Donors
14
H-Bond Acceptors
756
Complexity
SMILES
Canonical SMILES
SMILES: [H+].[H+].CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]Isomeric SMILES
SMILES: [H+].[H+].CCOC1=CC=C(C=C1)C[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]Synonyms(8)
gadoxetateGd-EOB-DTPA135326-11-3Gadoxetic acid [INN]UNII-3QJA87N40S2-[[(2S)-2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+);hydronDihydrogen (N-((2S)-2-(bis(carboxymethyl)amino)-3-(p-ethoxyphenyl)propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))gadolinate(2-)Dihydrogen (N((2s)-2-(bis(carboxymethyl)amino)-3-(p-ethoxyphenyl)propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-)gadolinate(2-).
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gd-EOB-DTPA
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