Ggadobutrol
Gadobutrol
CAS: 138071-82-6
Molecular Formula: C18H31N4O9.Gd
Ggadobutrol - Names and Identifiers
Ggadobutrol - Physico-chemical Properties
| Molecular Formula | C18H31N4O9.Gd |
| Molar Mass | 604.712 |
| Melting Point | >264°C (dec.) |
| Boling Point | 738.5°C at 760 mmHg |
| Flash Point | 400.4°C |
| Solubility | Water (Slightly) |
| Vapor Presure | 3.59E-25mmHg at 25°C |
| Appearance | Solid |
| Color | White to Off-White |
| Storage Condition | Refrigerator |
Ggadobutrol - Risk and Safety
| Toxicity | LD50 i.v. in mice: 23 mmol/kg (Vogler) |
Ggadobutrol - Reference Information
| Introduction | branol is a gadolinium-containing contrast agent used in nuclear spin tomography, since 2000 it has been approved in Germany as Gadovist for the indication "contrast enhancement in magnetic resonance tomography (MRT) of the skull and spine". Butyryl alcohol is composed of Gadolinium (III) and macrocyclic ligand 10-(2, 3-dihydroxy-1-(hydroxymethyl) propyl)-1,4,7, nonionic complex of 10-tetraazacyclododecane-1, 4, 7-triacetic acid (butrol). Gadolinium-containing contrast agent has become the most widely used MRI contrast agent in clinical practice. Gadolinium-based contrast agents approved for central nervous system resonance imaging. |
| Use | cyanohydrin is an alcoholic organic substance that can be used as an imaging agent for magnetic resonance imaging (MRI) examination. |
| preparation | Take 5.0g round of cyclopenning (I), 1.85g of lithium chloride in three bottles, Add 30ml of isopropanol, the mixture was heated to 80-85 °c and refluxed for 24h, and concentrated to dryness under reduced pressure. Add 30ml of anhydrous THF to the concentrated solution, and add 5.0g of 4, 4-dimethyl-3, 5, 8-trioxabicyclo [5.1.0] octane (II), the mixture was heated to reflux for 5 hours, concentrated to dryness under reduced pressure, refluxed with methyl tert-butyl ether for crystallization, filtered and dried under vacuum at 50 ° C. To give 8.1g of intermediate (IV). 8.0g of intermediate (IV) was dissolved by adding 8ml of purified water with stirring. Add 3.27g of lithium hydroxide monohydrate into 8ml of purified water at -5-5 ℃, stir and dissolve, add the lithium chloroacetate solution Dropwise to the intermediate (IV) solution at room temperature, after the completion of dropwise addition, the temperature was raised to 65 ℃, and about 2.8g of lithium hydroxide monohydrate was added in portions within 3 hours. The pH of the reaction system was controlled to be greater than 9, and the reaction was continued for 2 hours, the pH was adjusted to 3.5 with hydrochloric acid, stirred for 8.3 H, then added ml of ethanol, heated to reflux, stirred for crystallization for 5 hours, cooled to room temperature, filtered, and dried under vacuum to obtain g of intermediate (IV). 8.2g of intermediate (IV) was dissolved in 8ml of purified water with stirring, pH was adjusted to 3.5, 3.02G of gadolinium oxide was added, temperature was raised to 95 ℃, reaction was 4 hours, cooled to room temperature, adjusted to Neutral with lithium hydroxide, 80ml of ethanol was added dropwise, heated to reflux, stirred for crystallization for 5 hours, cooled to room temperature, filtered and vacuum dried to obtain crude intermediate (VI), I .e., 8.5g of cyanobutol. 8.0g of crude product was added with 8ml of purified water, heated to 70 ° C., stirred and dissolved, and 80ml of ethanol was added dropwise. After the dropwise addition was completed, the temperature was raised to reflux, and crystallization was stirred for 2 hours to cool to room temperature. The mixture was filtered and vacuum-dried to obtain 7.1g of cyanobutol. The overall yield was 40.4% and the HPLC purity was 99.9%. |
| biological activity | Gadobutrol (Gadovist, Gadavist) is a nonionic macrocyclic gadolinium-based contrast agent (GBCA, gadolinium contrast agent) for tissue contrast enhancement in magnetic resonance imaging (MRI). |
Last Update：2024-04-09 19:05:07
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