Gadoteridol

Base Information

• Chemical Name: Gadoteridol
• CAS No.: 120066-54-8
• Molecular Formula: C17H29GdN4O7
• Molecular Weight: 558.69
• Hs Code.: 2942000000
• UNII: 0199MV609F
• DSSTox Substance ID: DTXSID2048662
• Wikipedia: Gadoteridol
• Wikidata: Q5516429
• NCI Thesaurus Code: C65796
• RXCUI: 25483
• Mol file: 120066-54-8.mol

Synonyms:gadolinium 1,4,7-tris(carboxymethyl)-10-(2'-hydroxypropyl)-1,4,7,10-tetraazacyclododecane;gadolinium 1,4,7-triscarboxymethyl-1,4,7,10-tetraazacyclododecane;gadolinium HP-DO3A;gadoteridol;Gd(DO3A);Gd-HP-D03A;Gd-HP-DO3A;Gd-HPDO3A;Gd-hydroxypropyl-D03A;GdHPDO3A;Prohance;SQ 32,692;SQ 32692;SQ-32692

Chemical Property of Gadoteridol

Chemical Property:

• Vapor Pressure: 1.04E-20mmHg at 25°C
• Melting Point: >225oC
• Boiling Point: 668.2 °C at 760 mmHg
• Flash Point: 357.9 °C
• PSA: 101.09000
• LogP: -2.14850
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 559.12774
• Heavy Atom Count: 29
• Complexity: 471

Purity/Quality:

5-(2-Chloro-6-nitrophenylcarbamoyl)-2-fluorobenzeneboronic acid, 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T,N,Xi
• Hazard Codes: Xn,T,N,Xi
• Statements: 22-25-36-50-43-41
• Safety Statements: 45-26-61-36/37-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]
• Recent ClinicalTrials: Effect on Body Movement and Mental Skills in Patients Who Received Gadolinium-based Contrast Media for Magnetic Resonance Examination Multiple Times Within 5 Years
• 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
• Recent NIPH Clinical Trials: Advanced neuroimaging protocol, including 3T MRI with triple-dose gadoteridol administration, for histopathological characterization of glioma and prediction of the patient's prognosis
• Uses: Diagnostic aid (paramagnetic). Gadoteridol is used as an MRI contrast chelating agent.

Technology Process of Gadoteridol

There total 3 articles about Gadoteridol 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: 99.0%

gadolinium(III) oxide + 1,4,7-tris(carboxymethyl)-10-(2'-hydroxypropyl)-1,4,7,10-tetraazacyclododecane (120041-08-9) → gadoteridol (120066-54-8)

Guidance literature:

In water; at 85 ℃;

Reference yield: 25.0%

gadolinium(III) acetate hydrate + 1,4,7-tris(carboxymethyl)-10-(2'-hydroxypropyl)-1,4,7,10-tetraazacyclododecane (120041-08-9) → gadoteridol (120066-54-8)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 12h; pH=4 - 6.5; Inert atmosphere;

Reference yield:

gadolinium(III) chloride (10138-52-0) + 1,4,7-tris(carboxymethyl)-10-(2'-hydroxypropyl)-1,4,7,10-tetraazacyclododecane (120041-08-9) → gadoteridol (120066-54-8)

Guidance literature:

In water; in lightly buffered medium (sodium acetate/acetic acid), 25.0°C +/- 0.1°C, ionic strength 1.0 (NaCl); not isolated; monitoring by UV; Kinetics;

upstream raw materials:

gadolinium(III) chloride

1,4,7-tris(carboxymethyl)-10-(2'-hydroxypropyl)-1,4,7,10-tetraazacyclododecane

Refernces

• 1、 -. "Graphene Oxide Cellular Delivery of Hydrophilic Small Molecules". Paragraph 0083; 0084. . Retrieved 2017/04/04.