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737-31-5

737-31-5 Structure

737-31-5 Structure
IdentificationMore
[Name]

Diatrizoate sodium
[CAS]

737-31-5
[Synonyms]

3,5-BIS[ACETYLAMINO]-2,4,6-TRIIODOBENZOIC ACID, SODIUM
3,5-DIACETAMIDO-2,4,6-TRIIODOBENZOIC ACID SODIUM SALT
DIATRIZOATE SODIUM
DIATRIZOIC ACID SODIUM SALT
HYPAQUE SODIUM
LABOTEST-BB LT00455174
Sodium amidotrizoate
SODIUM DIATRIZOATE
3,5-diacetamido-2,4,6-triiodo-benzoicacimonosodiumsalt
3,5-diacetylamino-2,4,6-trijodbenzosaeurenatrium
diatrizoatesodiumsalt
hypaque
hypaque50
sodium3,5-diacetamido-2,4,6-triiodobenzoate
sodiumdiacetyldiaminetriiodobenzoate
triombrine
win8308-3
3,5-Diacetamido-2,4,6-triiodobenzoic acid sodium salt~Diatrizonate sodium
SODIUM DIATRIAZOATE
sodium amidotrizate
[EINECS(EC#)]

212-004-1
[Molecular Formula]

C11H8I3N2NaO4
[MDL Number]

MFCD00051544
[Molecular Weight]

635.9
[MOL File]

737-31-5.mol
Chemical PropertiesBack Directory
[Melting point ]

261-262° (dec)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

H2O: 0.35 g/mL, slightly turbid, colorless
[form ]

White Powder
[BRN ]

4082984
[InChI]

InChI=1S/C11H9I3N2O4.Na/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);/q;+1/p-1
[InChIKey]

ZEYOIOAKZLALAP-UHFFFAOYSA-M
[SMILES]

C1(NC(=O)C)C(I)=C(C(I)=C(C([O-])=O)C=1I)NC(=O)C.[Na+]
[CAS DataBase Reference]

737-31-5(CAS DataBase Reference)
[EPA Substance Registry System]

737-31-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R42/43:May cause sensitization by inhalation and skin contact .
[Safety Statements ]

S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

DG6125000
[F ]

8-10
[HS Code ]

29242100
[Hazardous Substances Data]

737-31-5(Hazardous Substances Data)
[Toxicity]

LD50 i.v. in rats: 14.7 g/kg (Langecker)
Questions And AnswerBack Directory
[Description]

Diatrizoate sodium is a contrast agent used during the X-rays test. It can be used as a diagnostic aid agent during angiography, urography and radiography. It can be applied during visualizing veins, the urinary system, gastrointestinal tract, spleen and joints as well as during the computer tomography (CT scan). It is used in cases where barium is not suitable for application such as patient being allergic to barium.
[References]

https://en.wikipedia.org/wiki/Diatrizoate
https://pubchem.ncbi.nlm.nih.gov/compound/Diatrizoate_sodium
Hazard InformationBack Directory
[Chemical Properties]

Diatrizoate sodium is a white or almost white powder that has no odor and a slightly salty taste. It dissolves easily in water but only slightly dissolves in ethanol, and it does not dissolve in ether. A 50% aqueous solution has a pH between 6.5 and 8.0. The substance has an iodine content of approximately 59.9%.
[Originator]

Hypaque Sodium,Winthrop,US,1955
[Uses]

Diatrizoate Sodium(737-31-5) is an iodinated radiopaque X-ray contrast medium used in radiology for diagnostic purposes. It is also used as a density gradient reagent to separate blood cells.
[Definition]

ChEBI: The sodium salt of a benzoic acid having iodo substituents at the 2-, 4- and 6-positions and acetamido substituents at the 3- and 5-positions. It is used, often as a mixture with the meglumine salt, as an X-ray contrast medium in gastrointestinal studies, ngiography, 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.
[Brand name]

Md (Mallinckrodt); Urovist Sodium (Berlex).
[Therapeutic Function]

Diagnostic aid (radiopaque medium)
[Mode of action]

The mechanism of action of Diatrizoate sodium is that it can block the X-rays so that the body structure containing iodine to be delineated in contrast to those structures that free of iodine, further allowing the visualization of those related areas.
Spectrum DetailBack Directory
[Spectrum Detail]

Diatrizoate sodium(737-31-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

737-31-5(sigmaaldrich)
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