Gadoxetate sodium

Base Information

• Chemical Name: Gadoxetate sodium
• CAS No.: 135326-22-6
• Molecular Formula: C₂₃H₂₈GdN₃O₁₁*2Na
• Molecular Weight: 725.718
• UNII: HOY74VZE0M
• Wikidata: Q27280038
• NCI Thesaurus Code: C77548
• RXCUI: 637320
• Mol file: 135326-22-6.mol

Synonyms:disodium gadoxetate;eovist;gadolinium (4S)-4-(4-ethoxybenzyl)-3,6,9-tris(carboxylatomethyl)-3,6,9-triazaundecanoic acid disodium salt;gadolinium ethoxybenzyl diethylenetriaminepentaacetic acid;gadolinium ethoxybenzyl DTPA;gadoxetate disodium;gadoxetic acid;gadoxetic acid disodium;Gd-EOB-DTPA;primovist

Chemical Property of Gadoxetate sodium

Chemical Property:

• PSA: 191.91000
• LogP: -3.91280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 15
• Exact Mass: 726.07603
• Heavy Atom Count: 40
• Complexity: 712

Purity/Quality:

>95% ^*data from raw suppliers

Gadoxetatedisodium 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Gd+3]
• Isomeric 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]
• Recent ClinicalTrials: Gadoxetate Sodium Enhanced MRI as a Biomarker for Aggressive Prostate Cancer
• Recent EU Clinical Trials: Prospective evaluation of potential effects of repeated gadolinium-based contrast agent (GBCA) administrations of the same GBCA on motor and cognitive functions in neurologically normal adults in comparison to a non-GBCA exposed control group—ODYSSEY
• Uses: Paramagnetic contrast agent for enhancement in magnetic resonance imaging (MRI).

Technology Process of Gadoxetate sodium

There total 1 articles about Gadoxetate sodium which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.2%

gadolinium(III) oxide + sodium hydroxide (1310-73-2) → disodium S-[4-(4-ethoxybenzyl)-3,6,9-tris[(carboxy-κO)methyl]-3,6,9-triazaundecandioato(5-)-κ(3)N(3),N(6),N(9),κ(2)O(1),O(11)]gadolinate(2-) (135326-22-6)

Guidance literature:

With C₄H₇(CH₂C₆H₄OEt)N₃(CH₂CO₂H)3, mixed sodium salt; In water; stoich. amts. of Gd2O3 and ligand, stirring at 80°C for 1 h, filtration, pH-adjustment to 7.0 with 1 M NaOH; concn. (vac.), EtOH addn., addn. to excess EtOH, refluxing for 2 h, collection (filtration), washing (95% EtOH), drying (vac., 50°C); elem. anal.; separable into two pairs of diastereomers by HPLC (Hypersil ODS, MeCN/aq. Bu4NOH);

upstream raw materials:

sodium hydroxide