DIATRIZOIC ACID

Bezeichnung:DIATRIZOIC ACID

CAS-Nr117-96-4

Englisch Name:DIATRIZOIC ACID

CBNumberCB9258330

SummenformelC11H9I3N2O4

Molgewicht613.91

MOL-Datei117-96-4.mol

DIATRIZOIC ACID physikalisch-chemischer Eigenschaften

Schmelzpunkt	>300°C
Siedepunkt	614.1±55.0 °C(Predicted)
Dichte	2.4079 (estimate)
Dampfdruck	0Pa at 20℃
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	Soluble in Methanol.
pka	0.92±0.10(Predicted)
Farbe	White to Off-White
Wasserlöslichkeit	500g/L(25 ºC)
Merck	14,2992
Stabilität	Light Sensitive
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	YVPYQUNUQOZFHG-UHFFFAOYSA-N
SMILES	C(O)(=O)C1=C(I)C(NC(C)=O)=C(I)C(NC(C)=O)=C1I
LogP	3.3 at 20℃
EPA chemische Informationen	Benzoic acid, 3,5-bis(acetylamino)-2,4,6-triiodo- (117-96-4)

Sicherheit

WGK Germany	3
RTECS-Nr.	DG5950000
HS Code	2924.29.7790
Giftige Stoffe Daten	117-96-4(Hazardous Substances Data)
Toxizität	LD50 intravenous in mouse: 8900mg/kg

Gefahreninformationscode (GHS)

DIATRIZOIC ACID Chemische Eigenschaften,Einsatz,Produktion Methoden

Chemische Eigenschaften
White Solid
Originator
Hypaque Sodium,Winthrop,US,1955
Verwenden
radiopaque agent
Verwenden
Density gradient reagent for blood cell seperation. Diagnostic aid (radiopaque medium)
Verwenden
Diatrizoic acid is a gradient reagent used for blood cell separation and diagnostic aid (radiopaque medium). Diatrizoic acid may be used as an alternative to barium sulfate for medical imaging of the gastrointestinal tract, such as upper gastrointestinal series and small bowel series.
Definition
ChEBI: A member of the class of benzoic acids that is benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, mainly as its N-methylglucamine and sodium salts, as an -ray contrast medium in gastrointestinal studies, angiography, and urography.
Manufacturing Process
3,5-Dinitrobenzoic acid (15.9 g) was dissolved in an equivalent amount of sodium hydroxide solution, and the solution was diluted to 310 ml with water. The solution was refluxed with Raney nickel for fifteen minutes, filtered, and the filtrate was hydrogenated at elevated pressure using platinum oxide catalyst. After the amount of hydrogen calculated to reduce both nitro groups had been absorbed, the mixture was filtered, and the filtrate was acidified with an equal volume of concentrated hydrochloric acid. Iodine monochloride (17 ml) in 100 ml of 6N HCl was then added with stirring. The reaction mixture was allowed to stand for two and one-half hours at room temperature, then diluted with an equal amount of water with vigorous stirring, and the solid material was collected by filtration and recrystallized
from dilute methanol, giving 18.5 g of 3,5-diamino-2,4,6-triiodobenzoic acid, MP about 135°C with decomposition. The 18.5 g of 3,5-diamino-2,4,6- triiodobenzoic acid was suspended in 150 ml of acetic anhydride containing 5 drops of 70% perchloric acid, and the mixture was heated on a steam bath for three and one-half hours. The reaction mixture was poured into 300 ml of ice water, and then heated on a steam bath until crystallization took place. The solid material was collected by filtration, dissolvedin dilute sodium hydroxide solution, filtered, and hydrochloric acid was added to the filtrate to reprecipitate the acid product. The latter was again dissolved in sodium hydroxide and reprecipitated with acid, giving 9 g of 3,5-diacetamido-2,4,6- triiodobenzoic acid, MP above 250°C.
The acid may be used as the sodium salt or as the meglumate.
Trademarks
Md (Mallinckrodt); Urovist Sodium (Berlex).
Therapeutic Function
Diagnostic aid (radiopaque medium)
Allgemeine Beschreibung
Diatrizoate is a water-soluble, ionicmonomer. It is commercially available as the megluminesalt, sodium salt, or as fixed combinations of the two saltforms. These triiodobenzoic acid salts contain 47% organicallybound iodine.
Numerous products with various concentrations of one ortwo of the salt forms are available for various imaging procedures.Indicated uses include angiography, venography,excretory urography, retrograde cystourethrography, retrogradeor ascending pyelography, operative, T-tube, or percutaneoustranshepatic cholangiography, splenoportography,arthrography; discography, radiographic examinationof the GI tract when barium sulfate is contraindicated (i.e.,suspected perforation of the GI tract), adjunct contrast enhancementin CT of the torso (dual contrast study), and hysterosalpingography.

DIATRIZOIC ACID Upstream-Materialien And Downstream Produkte

DIATRIZOIC ACID Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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