50978-11-5
diatrizoic acid
CAS: 50978-11-5;117-96-4
Molecular Formula: C11H9I3N2O4.2H2O
50978-11-5 - Names and Identifiers
| Name | diatrizoic acid |
| Synonyms | Diatrizoic acid diatrizoic acid DIATRIZOIC ACID USP DIAZTRIZOICACID,DIHYDRATE DIATRIZOIC ACID DIHYDRATE DIATRIZOICACID,DIHYDRATE,USP 3,5-DIACETAMIDO-2,4,6-TRIIODOBENZIOCACID 3,5-Diacetamido-2,4,6-triiodobenzoic acid 3,5-Diacetamido-2,4,6-triiodobenzioc acid 3,5-bis(acetylamino)-2,4,6-triiodobenzoic acid Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo-, dihydrate 3,5-DIACETAMIDO- 2,4,6-TRIIODOBENZOIC ACID (DIATRIZOIC ACID DIHYDRATE) |
| CAS | 50978-11-5 117-96-4 |
| EINECS | 204-223-6 |
| InChI | InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20) |
| InChIKey | JHQKUXXJPHSPOL-UHFFFAOYSA-N |
50978-11-5 - Physico-chemical Properties
| Molecular Formula | C11H9I3N2O4.2H2O |
| Molar Mass | 649.93 |
| Density | 2.619g/cm3 |
| Boling Point | 614.1°C at 760 mmHg |
| Flash Point | 325.2°C |
| Solubility | Very slightly soluble in water and in ethanol (96 per cent). It dissolves in dilute solutions of alkali hydroxides. |
| Vapor Presure | 6.19E-16mmHg at 25°C |
| Appearance | neat |
| pKa | pKa 3.4 (Uncertain) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.802 |
| Physical and Chemical Properties | Colorless crystalline powder, odorless, slightly bitter taste. Melting point> 300 °c. Insoluble in water, ethanol-soluble, insoluble in ether, soluble in sodium hydroxide solution and sodium salt formation. FIG. 1 shows the structural formula of pantothenic acid. |
| Use | Diagnostic medication for urography, cardiovascular, cerebral and peripheral vascular imaging |
50978-11-5 - Risk and Safety
| WGK Germany | 3 |
| HS Code | 2924296000 |
50978-11-5 - Standard
Authoritative Data Verified Data
This product is 3, 5-diacetamido-2, 4, 6-triiodobenzoic acid dihydrate. Calculated as dry product, containing C11H913N2O, not less than 98.5%.
Last Update：2024-01-02 23:10:35
50978-11-5 - Trait
Authoritative Data Verified Data
- This product is white powder; Odorless.
- This product is very slightly soluble in water; Dissolved in ammonia solution or sodium hydroxide solution.
Last Update：2022-01-01 11:59:25
50978-11-5 - Differential diagnosis
Authoritative Data Verified Data
- take about 10mg of this product, place it in the crucible, and heat it with small fire to generate purple iodine vapor.
- take the product and the contrast product of pantothenic acid, add methanol-concentrated ammonia solution (97:3) to dissolve and dilute to make a solution containing about 5mg per 1 ml. According to the chromatographic condition test under the item of related substances, the position and color of the main spot of the test solution should be the same as that of the reference solution.
- The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 209).
Last Update：2022-01-01 11:59:25
50978-11-5 - Exam
Authoritative Data Verified Data
acidity
take l.Og of this product, add water 20ml, shake for several minutes, filter, and determine according to law (General rule 0631), the pH value should be 2.5~3.5.
color of alkaline solution
take 4.8g of this product, Add 10ml of sodium hydroxide solution to dissolve the solution should be colorless; If the color is colored, compare with the control solution (take 5ml of Yellow 3 or orange 2 Standard Colorimetric solution, add 5ml of water, shake well) comparison, not deeper.
free iodine
take 2.0ml of the solution under the color of the alkaline solution, dilute it to 10ml with water, add dilute acetic acid until it is acidic to litmus paper, and add potassium iodide 0. = 5G, after shaking and dissolving, add 1ml of starch indicator solution, shake well; If color is developed, compare with the control solution (take the same amount of sample, use the same method, water lm = l instead of starch indicator liquid lml) comparison should not be deeper.
halide
take 2.0g of this product, add 4ml of sodium hydroxide solution to dissolve, Add 30ml of water, Dropwise add 3ml of dilute nitric acid, stir for several minutes, make the diatrizoate acid precipitate, filter, and wash the precipitate with a small amount of water, combine the washing solution and filtrate, dilute to 50ml with water, shake well, and filter repeatedly if necessary; Separate the filtrate to 20ml and check with chloride method (General rule 0801), not more concentrated (0.005%) than the control solution made from of standard sodium chloride solution.
iodide
Take 20ml of the remaining filtrate under the halide item, add 1ml of chloroform, 3ml of dilute nitric acid and 1ml of concentrated hydrogen peroxide solution, shake, stand and delaminate, if the chloroform layer is colored, with 0.0013% potassium chloride solution (equivalent to 10ug of 1 per 1ml) 2.0ml after adding water to 20ml, the control solution prepared by the same method should not be deeper (0.0025%).
amino compound
take this product l. Add 5ml water and 5ml sodium hydroxide solution to dissolve, add water to 100ml, shake, take 10ml, add sodium nitrite titration solution (0.lmol/L) 5ml with hydrochloric acid solution (9-100)l0ml, shake, place for 10 minutes, add 2.5% Ammonium sulfamate solution 5ml, shake, place for 5 minutes, add 2ml of basic naphthol test solution and 15ml of sodium hydroxide test solution, add water to 50ml, shake well, measure absorbance at the wavelength of 485nm according to UV-visible spectrophotometry (General rule 0401), not more than 0.25.
Related substances
take this product, add methanol-concentrated ammonia solution (97:3) to dissolve and dilute to make a solution containing about 50mg per 1 ml, as a test solution; Take an appropriate amount of precision, quantitative dilution with methanol-concentrated ammonia solution (97:3) was made to contain O per 1 ml. 1 mg solution, as a control solution. According to the thin layer chromatography (General 0502) test, absorb the above two solutions each 5 u1, respectively, on the same high performance silica gel GF254 thin layer plate, with anhydrous formic acid-methyl ketone-toluene (20:25:60) is the developing solvent. After spreading, it is dried and inspected under UV light (254nm). Test solution such as impurity spots, compared with the control solution of the main spot, not deeper.
loss on drying
take this product, dry to constant weight at 130°C, weight loss shall not exceed 6.0% (General rule 0831).
ignition residue
take l.Og of this product and check it according to law (General rule 0841). The residue left shall not exceed 0.1%.
Iron Salt
take the residue left under the item of ignition residue, add hydrochloric acid (lml), dry on a water bath, add a proper amount of dilute hydrochloric acid (lml) and water, heat on the water bath, filter, wash the Crucible with water, the filtrate and the washing solution are combined and added with water to make 25ml, which shall be checked according to law (General rule 0807), and shall not be deeper (0.001%) compared with ml of standard iron solution prepared by the same method.
Heavy metals
This product l.Og, inspection according to law (General Principles 0821 second law), containing heavy metals shall not exceed 10 parts per million.
Last Update：2022-01-01 11:59:27
50978-11-5 - Content determination
Authoritative Data Verified Data
take this product about 0.4g, precision weighing, Add 30ml of sodium hydroxide solution and zinc powder l.Og, refluxing for 30 minutes, cooling, condenser tube with a small amount of water washing, filtering, flask and filter water washing 3 times, each 15ml, combined wash and filtrate, add 5ml of glacial acetic acid and 5 drops of eosin sodium indicator solution, and use silver nitrate titration solution (0.lmol/L titration. Each 1 ml of silver nitrate titration solution (0.1 mol/L) corresponds to 20.46mg of C1H913N204.
Last Update：2022-01-01 11:59:27
50978-11-5 - Category
Authoritative Data Verified Data
diagnostic medication.
Last Update：2022-01-01 11:59:27
50978-11-5 - Storage
Authoritative Data Verified Data
light shielding, sealed storage.
Last Update：2022-01-01 11:59:27
50978-11-5 - Meglumine Diatrizoate Injection
Authoritative Data Verified Data
This product is a sterilized aqueous solution made of diatrizoate acid and isomolecular meglumine. Containing meglumine diatrizoate (C11H9I3N204 • C7H17N05) shall be between 95.0% and 105.0% of the labeled amount.
trait
This product is colorless to light yellow clear liquid.
identification
- take about 1ml of this product, steam dry, small heat, produce purple iodine vapor.
- take about 0.1 of this product, add 1ml of ferric chloride test solution, and add 2ml of 20% sodium hydroxide solution Dropwise to form a brown-red precipitate, which is then dissolved into a brown-red solution.
- take an appropriate amount of this product and dilute it with water to make a solution containing 3mg of meglumine diatrizoate per 1 ml. Take 20mg of the control product of diatrizoate acid and Add 10ml of 0.04% sodium hydroxide solution to dissolve it. According to the thin layer chromatography (General 0502) test, absorb the above two solutions of 10 u1, respectively, on the same silica gel HF254 thin layer plate, with n-butanol-glacial acetic acid-water (4:1:5) for the development of the agent, expand, dry, set the UV light (254nm) under the inspection. The position of the main spot displayed by the test solution should be the same as that of the control solution.
examination
- the pH value should be 6.0 to 7.6 (General 0631).
- the color of this product, compared with the yellow 6 Standard Colorimetric liquid (General Principles 0901 The first method), not deeper.
- free iodine take an appropriate amount of this product (about equivalent to meglumine diatrizoate l.Og), dilute it with water to 10ml, and check it according to the method of free iodine under the item of diatrizoate acid, and it should comply with the regulations. Iodide take the right amount of this product (about equivalent to meglumine diatrizoate l. Log), dilute to 10ml with water, Dropwise add dilute nitric acid 3ml, stir for several minutes, precipitate, filter, precipitate washed with 5ml water; Combine filtrate and wash, add chloroform and concentrated hydrogen peroxide solution 1ml, shaking, static stratification. Trichloromethane layer such as color, and 0.0013% potassium iodide solution (each lml equivalent to 10ug of 1)4.0 ml with the same method of preparation of the control liquid comparison, not deeper.
- The free amine was protected from light. Take an appropriate amount of this product (about 1.0g equivalent to meglumine diatrizoate), put it in a 50ml measuring flask, dilute it to 5ml with water, and add 0.1 mol/L sodium oxyhydroxide solution 10ml and dimethyl sulfoxide 25ml, shake, place in ice bath for 5 minutes, slowly add human hydrochloric acid 2ml, shake, place for 5 minutes, add 2% sodium nitrite solution 2ml, shake, place it for 5 minutes, add 1ml of 8% sulfamic acid solution, shake well, place it for 5 minutes, add 0.1% naphthoethylenediamine hydrochloride solution (take naphthoethylenediamine hydrochloride 0.lg, put it in a 100ml measuring flask, Add 30ml of water to dissolve, use 1,2-propylene glycol diluted to the scale, shake. The liquid should be freshly used) 2ml, shake well, take the measuring flask out of the ice bath, place it in a water bath at 22-25°C for 10 minutes, shake it constantly, and dilute it to the scale with dimethyl sulfoxide, shake well, with water 5mL solution made by the same method as blank, according to UV-visible spectrophotometry (General 0401), within 5 minutes, determine the absorbance of the test solution at the wavelength of 470mn, not more than 0.40.
- meglumine take this product, according to the determination of optical rotation at 25°C (General 0621), the result is divided by 24.9, that is, the test product contains Meglumine (C7H17N05) concentration (g/ml). The C7H17N05 content shall be between 22.9% and 25.3% of the nominal amount of meglumine diatrizoate. Pyrogen to take this product, according to the law (General 1142), the dose of rabbit weight per lkg slowly injected 3ml, should comply with the provisions.
- others should comply with the relevant provisions under injection (General 0102).
Content determination
take an appropriate amount of this product (about 6g equivalent to meglumine diatrizoate), put it in a 100ml measuring flask, dilute it with water to the scale, shake it well, and take 10ml for precision measurement, according to the method under the item of diatrizoate acid, from "Add 30ml of sodium hydroxide test solution and 1.0g of zinc powder", the determination was carried out according to law. Each 1 ml of silver nitrate titration solution (0.1 mol/L) corresponds to 26.97mg of C11H9I3N204 .C7H17N05.
category
diagnostic medication.
specification
- 1ml:3g
- 20ml:12g
- 20ml:15.2g
- 50ml:30g
- 50ml:32.5g
- l00ml:60g
- l00ml:65g
- 200ml:130g
storage
light shielding, closed storage.
Last Update：2022-01-01 11:59:29
50978-11-5 - Diatrizoate sodium injection
Authoritative Data Verified Data
This product is a sterilized aqueous solution after neutralized with sodium hydroxide. Containing sodium diatrizoate (C11H9I3N204) shall be between 95.0% and 105.0% of label load.
trait
This product is colorless to light yellow clear liquid.
identification
- take about 1ml of this product, steam dry, small heat, produce purple iodine vapor.
- take the product and the contrast product of the pantothenic acid, respectively, and add 0.08% sodium hydroxide in methanol solution to make a solution containing about 1 mg per 1 ml. According to the thin layer chromatography (General 0502) test, absorb the above two solutions of 10 u1, respectively, on the same silica gel HF254 thin layer plate, with n-butanol-glacial acetic acid-water (4:1:5) for the development of the agent, expand, dry, set the UV light (254nm) under the inspection. The position of the main spot displayed by the test solution should be the same as that of the control solution.
- identification reaction of sodium salt of this product (General rule 0301).
examination
- the pH value should be 6.5 to 8.0 (General 0631).
- the color of this product, compared with the yellow No. 3 Standard Colorimetric liquid (General Principles 0901 first method), should not be deeper.
- free iodine take an appropriate amount of this product (about equivalent to sodium diatrizoate l.Og), add water to 10ml, and check it according to the method under the item of diatrizoate acid.
- iodide take an appropriate amount of this product (equivalent to about 0.8g of sodium diatrizoate), dilute to 10ml with water, add 3ml of dilute nitric acid Dropwise, stir for several minutes, precipitate, filter, and wash the precipitate with 5ml of water; combine filtrate and washing solution, add chloroform and concentrated hydrogen peroxide solution 1ml, shake, static stratification, chloroform layer such as color, and 0.0013% potassium iodide solution (each lml is equivalent to 10ug of 1)4.0ml of the control solution prepared by the same method should not be deeper.
- pyrogen to take this product, according to the law (General rule 1142), the dose of rabbit body weight per lkg slow injection of 3ml, should comply with the provisions.
- others should comply with the relevant provisions under injection (General 0102).
Content determination
take an appropriate amount of this product (about 5g of sodium diatrizoate), put it in a 100ml measuring flask, dilute it with water to the scale, shake it well, and take 10ml for precision measurement, according to the method under the item of diatrizoate acid, from "Add 30ml of sodium hydroxide test solution and 1.0g of zinc powder", the determination was carried out according to law. Each 1 ml of silver nitrate titration solution (0.1 mol/L) corresponds to 21.20mg of C11H8I3N2Na04.
category
diagnostic medication.
specification
(l ) lml:0.3g (2)20ml:10g
storage
light shielding, closed storage.
Last Update：2022-01-01 11:59:30
50978-11-5 - Reference Information
| use | pantothenic acid is a diagnostic drug and contrast agent. But pantothenic acid is not directly used for angiography, but is formulated into sodium pantothenate and meglumine diatrizoate injection for clinical angiography, used for urinary tract, cardiovascular, cerebrovascular and peripheral angiography. For usage, refer to sodium pantothenate and meglumine diatrizoate. Do not use it for those who are allergic to iodine. diagnostic medication, used for urinary system, cardiovascular, cerebral tube and peripheral angiography |
| sodium pantothenate | sodium pantothenate is an iodine benzoic acid salt, ionic hypertonic contrast agent. After intravenous injection, it is quickly filtered through the glomerulus in its original shape and excreted with urine. This product has low viscosity and large adverse reactions. It is not suitable for angiography. It is often combined with meglumine diatrizoate for angiography. After oral administration, it is less absorbed from the gastrointestinal tract. After intravenous injection and plasma protein binding is not obvious. The highest distribution in the body is in the kidney, followed by the liver, spleen, stomach, small intestine, heart, large intestine and muscle. There are still trace amounts in the blood circulation, which can be maintained for about 4 days. 95% of the dose is discharged from the urine through the kidney in its original form, 1% ~ 2% is discharged from feces, and a very small amount can be detected in tears and saliva. Drugs can also enter the placenta and milk. [Purpose] Mainly used for urography, also used for cardiac large blood vessels and peripheral angiography, retrograde pyelography, and can be injected into the organ cavity or fistula angiography. [usage and dosage] 1. intravenous pyelography: 20~30ml of 50% injection, slow intravenous injection for 1~3 minutes, and photography for 5, 10 and 15 minutes after injection. 2. retrograde pyelography: dilute into 20% solution with sterilized water for injection, use 6~10ml on one side, and reduce it for children. 3. cardiac angiography: 40ml 50%, rapid intravenous injection. 4. peripheral angiography: 50% injection, 40ml for arteriography, 20ml for upper limb venography and 10ml for lower limb venography. [adverse reactions] many adverse reactions of pantothenate can be attributed to the high osmotic pressure produced by its ionic drugs. In addition, the use of contrast agents, injection speed, drug concentration, volume and viscosity, etc., are closely related to the adverse reactions. Most adverse reactions occur within 5~10 minutes after drug injection, but they can also be delayed. |
| contrast agent | contrast agent is one of the most commonly used drugs in interventional radiology and is mostly excreted by the kidneys. As an ideal contrast agent, it should have the following characteristics: ① high content of contrast components; ② simple synthesis and high yield; ③ good stability in vitro and in vivo; ④ infinite water solubility; ⑤ low viscosity; ⑥ no biological activity. In the 1940s and 1950s, in order to improve the safety of contrast agents, ionic contrast agents such as pantothenic acid, iodaric acid, and methylpantothenic acid were invented. This is the first breakthrough in the development of modern contrast agents. These contrast agents have low toxicity and high concentration, and are suitable for urography. From the late 60s to the early 70s, a non-ionic monomer contrast agent, mepanthumine, appeared, characterized by low osmotic pressure and good tolerance. This is the first generation of non-ionic contrast agents and the development of modern contrast agents. The second breakthrough. In view of the shortcomings of the first generation of non-ionic contrast agents such as unstable performance, from the mid-1970s to the 1980s, the second and third generation of new non-ionic contrast agents were successively developed, namely iopamidol, Iohexol, Youweixian, Aesoxian, etc. These contrast agents have the advantages of low toxicity, stable performance, isotonic, and good tolerance. This is the third breakthrough in the development of modern contrast agents. The successful development and development of contrast agents have promoted the progress of imaging technology and the development of interventional radiology. |
| Preparation method | It is prepared by iodination of m-diaminobenzoic acid and iodine monochloride, and then acylation with acetic anhydride. |
Last Update：2024-04-09 02:00:09
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