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Chemical structure of Gadoxetate Disodium

GC36100

Gadoxetate Disodium

Also known as disodium;2-[[(2S)-2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+)

Gadoxetate Disodium (Gd-EOB-DTPA Disodium) is a contrast agent in magnetic resonance imaging (MRI) of the hepatobiliary system, which accumulates in normal, functioning hepatocytes· Gadoxetate Disodium (Gd-EOB-DTPA Disodium) is used to evaluate focal liver lesions, such as hepatocellular carcinoma or liver metastasis on T1-weighted imaging

ChemicalCAS135326-22-6MW725.71FormulaC23H28GdN3Na2O11
CAS number
135326-22-6
Molecular weight
725.71
Formula
C23H28GdN3Na2O11
Solubility
Water ： 100mg/mL
InChIKey
SLYTULCOCGSBBJ-FCQHKQNSSA-I
Catalogue number
GC36100
Brand
GLPBIO
Computed properties PubChem CID 53240376 · TPSA 220 Ų · H-bond donors 0 · H-bond acceptors 14
TPSA
220 Ų
H-bond donors
0
H-bond acceptors
14
Rotatable bonds
15
Heavy atoms
40

SMILES 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-].[Na+].[Na+].[Gd+3]

Computed descriptors from PubChem (CID 53240376), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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