Gd-BOPTA

Base Information

• Chemical Name: Gd-BOPTA
• CAS No.: 172504-22-2
• Molecular Formula: C₂₂H₂₆N₃O₁₁*Gd
• Molecular Weight: 665.712
• DSSTox Substance ID: DTXSID101027610
• Mol file: 172504-22-2.mol

Synonyms:3,6,9-triaza-12-oxa-3,6,9-tricarboxymethylene-10-carboxy-13-phenyltridecanoic acid, gadolinium;B 19036;B-19036;gadobenate dimeglumine;gadobenic acid;gadobenic acid, dimeglumine salt;gadolinium-benzyloxypropionyl tetraacetate;gadolinium-BOPTA-Dimeg;Gd(BOPTA)2;Gd-BOPTA;MultiHance

Chemical Property of Gd-BOPTA

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 15
• Exact Mass: 666.08084
• Heavy Atom Count: 37
• Complexity: 699

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]

Technology Process of Gd-BOPTA

There total 1 articles about Gd-BOPTA 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:

gadolinium(III) chloride (10138-52-0) + 4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oic acid (113786-33-7) → Gd(4-carboxyl-5,6,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecane-13-oic acid(5-))(2-) (172504-22-2)

Guidance literature:

With NaOH; In hydrogenchloride; water; soln. of GdCl3 in aq. HCl mixed with aq. soln. of ligand, pH adjusted to6 by NaOH;

DOI:10.1021/ic102390p

upstream raw materials:

gadolinium(III) chloride

4-carboxy-5,8,11-tris(carboxymethyl)-1-phenyl-2-oxa-5,8,11-triazatridecan-13-oic acid

Refernces