Gadoteric acid

Base Information

• Chemical Name: Gadoteric acid
• CAS No.: 72573-82-1
• Molecular Formula: C16H25GdN4O8
• Molecular Weight: 558.646
• UNII: QVF9Y6955W
• Wikipedia: Gadoteric_acid
• Wikidata: Q1490905
• NCI Thesaurus Code: C174900
• Mol file: 72573-82-1.mol

Synonyms:gadolinate(1-), (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-;gadolinium 1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetate;gadolinium DOTA;gadoterate;gadoterate sodium;Gd-DOTA

Chemical Property of Gadoteric acid

Chemical Property:

• Vapor Pressure: 1.51E-21mmHg at 25°C
• Boiling Point: 701.6 ºC at 760 mmHg
• Flash Point: 378.1 ºC
• PSA: 160.93000
• LogP: -6.70610
• Storage Temp.: Refrigerator
• Solubility.: Water (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 559.09135
• Heavy Atom Count: 29
• Complexity: 510

Purity/Quality:

99%MIN ^*data from raw suppliers

GadotericAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
• Recent ClinicalTrials: Comparison of Gadovist 75% Standard Dose to Dotarem at Full Standard Dose
• Recent EU Clinical Trials: Performance of Elucirem? (gadopiclenol) in Dynamic Susceptibility Contrast Magnetic Resonance Imaging (DSC-MRI) perfusion of brain gliomas
• Uses: Gadoteric Acid is used for magnetic resonance imaging.

Technology Process of Gadoteric acid

There total 5 articles about Gadoteric acid 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: 100.0%

1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane (60239-18-1) + gadolinium(III) chloride hexahydrate → gadoteric acid (72573-82-1)

Guidance literature:

With potassium hydroxide; In water; at 60 ℃; for 24h; pH=5.5 - 7;

DOI:10.1039/d0ob02482a

Reference yield: 67.9%

gadolinium(III) oxide + 1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane (60239-18-1) → gadolinium(III) 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (72573-82-1)

Guidance literature:

In water; for 3h;

Reference yield:

1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane (60239-18-1) + gadolinium(III) chloride hexahydrate → gadolinium(III) 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (72573-82-1)

Guidance literature:

With ammonium acetate; In water; at 37 ℃; for 2h; pH=8.5;

DOI:10.1002/jms.3942

upstream raw materials:

1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane

Refernces

• 1、 Simke, Julian,B?ckermann, Till,Bergander, Klaus,Klabunde, Sina,Hansen, Michael Ryan,Ravoo, Bart Jan. "Photoresponsive host-guest chemistry and relaxation time of fluorinated cyclodextrin and T1=T* 2 arylazopyrazole-functionalized DOTA metal complexes". supporting information. p. 2186 - 2191. Retrieved 2021/03/24.
• 2、 -. "Graphene Oxide Cellular Delivery of Hydrophilic Small Molecules". Paragraph 0083; 0084; 0085. . Retrieved 2017/04/04.