What is the chemical structure of N, n '-bis (2,3-dihydroxypropyl) -5- {[3-hydroxy-2- (hydroxymethyl) propanoyl] amino} -2,4,6-triiodo-n, n' -dimethylbenzene-1,3-dicarboxamide?
This is an organic compound named N, N '-bis (2,3-dihydroxypropyl) -5- {[3-hydroxy-2 - (hydroxymethyl) propionyl] amino} -2,4,6-triiodo- N, N' -dimethylbenzene-1,3-dicarbonamide. Its chemical structure is as follows:
- ** Core phenyl ring structure **: Based on the phenyl ring, this is the key basic structure of many organic compounds. The phenyl ring has unique stability and electronic properties due to the π-electron conjugation system. In this compound, the phenyl ring plays a key supporting role in maintaining the overall structural stability and participating in the reaction.
- ** Iodine atomic substitution **: The 2,4,6 positions on the benzene ring are replaced by iodine atoms. Iodine atoms have a large atomic weight and strong electron absorption, which can significantly affect the electron cloud distribution of molecules, and then affect the physical and chemical properties of compounds. For example, increasing fat solubility has a significant impact on their distribution and metabolism in vivo.
- ** Dicarbonamide substitution **: The 1 and 3 positions of the benzene ring are connected to N, N '-dimethylbenzene-1,3-dicarbonamide structure. Amide-based proteins, polypeptides and other biological macromolecules are common structural units, with certain stability and biological activity. In this structure, two methyl groups are attached to the nitrogen atom, which changes the electron cloud density and steric resistance of the amide group, which affects the intermolecular forces and chemical reactivity.
- ** Dihydroxypropyl connection **: N, N 'positions are connected to bis (2,3 -dihydroxypropyl). Hydroxyl groups are hydrophilic, can increase the water solubility of compounds, and can also participate in the formation of hydrogen bonds, which has a profound impact on the intermolecular interactions, crystal forms and solubility of compounds. Two hydroxyl groups are located on adjacent carbons, and specific spatial positions can affect the molecular flexibility and stereochemical properties.
- ** Special propionyl amino linkage **: 5-position linkage {[3-hydroxy-2- (hydroxymethyl) propionyl] amino} structure. This structure contains carboxyl-derived acyl groups, amino groups and multiple hydroxyl groups. These functional groups work together to not only increase the molecular complexity, but also endow the compound with various reactivity and biological activity, such as participating in condensation reactions, hydrogen bonding, etc., which affect the stability and function of the compound.
What are the main uses of N, n '-bis (2,3-dihydroxypropyl) -5- {[3-hydroxy-2- (hydroxymethyl) propanoyl] amino} -2,4,6-triiodo-n, n' -dimethylbenzene-1,3-dicarboxamide?
N, N '-bis (2,3-dihydroxypropyl) -5- {[3-hydroxy-2- (hydroxymethyl) propionyl] amino} -2, 4,6-triiodine-N, N' -dimethylbenzene-1,3-diformamide, this is an organic compound, which has a wide range of uses in the field of medicine, especially in contrast agents.
During the process of contrast imaging, patients need to ingest this compound. Because of its iodine content, iodine has a high atomic number, which can form a sharp contrast with surrounding tissues in X-ray and CT imaging. When X-rays penetrate the human body, the absorption and scattering characteristics of the compound are different from others, and the contours of organs and blood vessels are clearly outlined on the imaging map, which helps doctors to clearly understand the structure of the body and accurately diagnose diseases, such as blood vessel blockage, tumor location and morphology.
Furthermore, the molecular structure of this compound contains many hydroxyl and amide groups, making it water-soluble and biocompatible. Water solubility ensures its smooth transportation and distribution in the body, and biocompatibility ensures that it is not easy to cause immune reactions or adverse reactions in the body, which greatly enhances the safety and reliability of imaging examinations, providing a solid help for doctors to accurately judge the condition, and playing a key role in modern medical diagnosis.
How safe is N, n '-bis (2,3-dihydroxypropyl) -5- {[3-hydroxy-2- (hydroxymethyl) propanoyl] amino} -2,4,6-triodox-n, n' -dimethylbenzene-1,3-dicarboxamide?
This is about the safety of N, N '-bis (2,3-dihydroxypropyl) -5 - {[3-hydroxy-2- (hydroxymethyl) propionyl] amino} -2,4,6-triiodine-N, N' -dimethylbenzene-1,3-diformamide. The safety of this substance requires detailed investigation.
To observe its chemical structure, it contains triiodine atoms and many polar functional groups, such as hydroxyl groups, amide groups, etc. Polar groups may make them have certain solubility and reactivity in organisms. The presence of triiodine atoms may affect its pharmacological and toxicological properties. Although iodine is essential for the human body, excessive intake may cause abnormal function of thyroid and other organs.
When it comes to toxicology, there is no detailed study as conclusive ancient books. However, it is deduced from compounds with similar structures, or there is a latent risk. For example, compounds containing polyhydroxy structures, or interact with biological macromolecules such as proteins and nucleic acids, which interfere with the normal physiological functions of cells. Although amide groups are commonly found in a variety of drugs, the reactivity and potential toxicity of amide groups in this specific structure remain to be considered.
Then again, its application scenarios, if used in the field of medicine, as a contrast agent, etc., are related to safety in the metabolic process in the body and the interaction with tissues and organs. After injection into the body, whether it can be effectively excreted from the body, if it accumulates in the body, it may cause long-term toxic effects.
Although there is no complete conclusion to prove its safety, but the comprehensive structure and analogs information, it can be seen that the safety of this substance needs to be carefully evaluated. When using or researching, strict regulations should be followed and its potential hazards should be closely monitored to ensure the safety of its application.
What is the production method of N, n '-bis (2,3-dihydroxypropyl) -5- {[3-hydroxy-2- (hydroxymethyl) propanoyl] amino} -2,4,6-triiodo-n, n' -dimethylbenzene-1,3-dicarboxamide?
N, N '-bis (2,3-dihydroxypropyl) -5- {[3-hydroxy-2- (hydroxymethyl) propionyl] amino} -2,4,6-triiodine-N, N' -dimethylbenzene-1,3-diformamide, the preparation method is particularly important.
To prepare this product, benzene series compounds are often used as starting materials. The methyl group is introduced at a specific position before the benzene ring, which can be obtained by the reaction of halomethane and benzene catalyzed by Lewis acid through the method of Fu-gram alkylation. Thereafter, a specific hydrogen atom on the benzene ring needs to be replaced with an iodine atom, which may be achieved by an iodine substitution reaction, such as in a suitable solvent, with iodine and an appropriate oxidizing agent, under specific conditions, the iodine atom is induced to replace the hydrogen at the corresponding position on the benzene ring to achieve the purpose of 2,4,6-triiodine substitution.
Furthermore, a group containing dihydroxypropyl is introduced. A halide containing dihydroxypropyl can be prepared first, and then a nucleophilic substitution reaction is carried out with the nitrogen-containing reactant to introduce the N, N '-bis (2,3-dihydroxypropyl) structure into the molecule.
As for the 5-position {[3-hydroxy-2- (hydroxymethyl) propionyl] amino}, 3-hydroxy-2- (hydroxymethyl) propionic acid can be prepared first, and then converted into active acylating reagents, such as acyl chloride, and then reacted with amino-containing compounds to achieve the construction of this part of the structure.
During the preparation process, the reaction conditions at each step, such as temperature, reaction time, and ratio of reactants, need to be carefully adjusted to ensure that the reaction proceeds as expected and improve the purity and yield of the product. And after each step of the reaction, it is often necessary to use appropriate separation and purification means, such as extraction, distillation, recrystallization, etc., to remove impurities and obtain a pure product, so that N, N '-bis (2,3 -dihydroxypropyl) - 5 - {[3-hydroxy-2- (hydroxymethyl) propionyl] amino} -2,4,6 -triiodine-N, N' -dimethylbenzene-1,3 -diformamide.
N, n '-bis (2,3-dihydroxypropyl) -5- {[3-hydroxy-2- (hydroxymethyl) propanoyl] amino} -2,4,6-triodox-n, n' -dimethylbenzene-1,3-dicarboxamide What are the relevant Quality Standards?
This substance is named N, N '-bis (2,3-dihydroxypropyl) -5- {[3-hydroxy-2- (hydroxymethyl) propionyl] amino} -2,4,6-triiodine-N, N' -dimethylbenzene-1,3-diformamide. Regarding its relevant Quality Standards, there are the following points:
First, the appearance properties should be white to off-white crystalline powder with uniform color and no visible foreign matter. If the appearance is different, it may affect its quality and application.
Second, in terms of purity, it needs to meet very high standards. Usually, the purity determined by high performance liquid chromatography should not be less than 99.0%. Excessive impurities can interfere with its normal use in medical and other fields, or cause adverse reactions.
Third, the content of related substances, specific impurities such as specific organic impurities, needs to be strictly controlled, a single impurity shall not exceed 0.1%, and the total impurity shall not exceed 0.5%. The presence of these impurities may change the chemical properties and stability of the substance.
Fourth, weight loss in drying. After drying under specified conditions, the weight loss shall not exceed 0.5%. Excessive moisture may cause the substance to agglomerate and deteriorate, affecting storage and use.
Fifth, incandescent residue, residual residue shall not exceed 0.1%. Excessive incandescent residue may contain inorganic impurities that affect the properties of the substance.
Sixth, heavy metal content, lead, mercury, cadmium and other heavy metals must meet strict limits to ensure the safety of use, lead shall not exceed 10ppm, mercury shall not exceed 2ppm, cadmium shall not exceed 5ppm.
Seventh, content determination, using appropriate analytical methods such as volumetric analysis or spectral analysis, according to the dry product calculation, the content of C < H < I
N < O > should be 98.0% - 102.0% to ensure the accurate content of the active ingredients of the substance.