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Sodium diatrizoate

CAT: 0804-HY-B0926A-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0926A-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sodium diatrizoate (Diatrizoic acid sodium salt) is an iodinated radiocontrast agent and has the potential for radiographic imaging of the airways. Sodium diatrizoate induces mitochondrial turnover and oxidative stress, and activating apoptosis by dysregulating calcium[1][2].
CAS Number
737-31-5
Product Name Alternative
Diatrizoic acid (sodium salt) ; Sodium amidotrizoate
UNSPSC
12352005
Hazard Statement
H317, H334
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Sodium_diatrizoate.html
Purity
99.50
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : ≥ 50 mg/mL
Smiles
O=C(O[Na])C1=C(I)C(NC(C)=O)=C(I)C(NC(C)=O)=C1I
Molecular Formula
C11H8I3N2NaO4
Molecular Weight
635.90
Precautions
H317, H334
References & Citations
[1]El-Gendy N, et al. Dry powdered aerosols of diatrizoic acid nanoparticle agglomerates as a lung contrast agent. Int J Pharm. 2010 May 31;391 (1-2) :305-12.|[2]Dakota B Ward, et al. Radiocontrast Agent Diatrizoic Acid Induces Mitophagy and Oxidative Stress via Calcium Dysregulation. Int J Mol Sci. 2019 Aug 21;20 (17) :4074.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Sodium Amidotrizoate

Sodium amidotrizoate is 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, angiography, and urography. It has a role as a radioopaque medium. It is an organoiodine compound and an organic sodium salt. It contains an amidotrizoic acid anion.

CAS Number737-31-5
PubChem CID23672589
IUPAC Namesodium 3,5-diacetamido-2,4,6-triiodobenzoate
Molecular FormulaC11H8I3N2NaO4
Molecular Weight635.89
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity396
SMILES
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I.[Na+]
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
Chemical Structure
2D Structure
2D structure of Sodium Amidotrizoate
CAS: 737-31-5
CID: 23672589
Formula: C11H8I3N2NaO4
MW: 635.89
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight635.89
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass635.7516
Monoisotopic Mass635.7516
Topological Polar Surface Area98.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
S4816-01Diatrizoate sodium
FS01729-01Sodium diatrizoate
A17075-200Diatrizoate sodium 200mg
A17075-100Diatrizoate sodium 100mg
A17075-500Diatrizoate sodium 500mg
A17075-1000Diatrizoate sodium 1g
A17075-10mM-DDiatrizoate sodium 10mM * 1mL in DMSO
317599Diatrizoate
454301Meglumine Diatrizoate
51-604Diatrizoate Allergen

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