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Diatrizoate sodium

CAT: 1410-M15819-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:1410-M15819-01Size:500 mg
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Description
Diatrizoate Sodium is an iodinated radiopaque X-ray contrast medium.
CAS Number
737-31-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
635.9
Molecular Formula
C11H8I3N2NaO4
Notes
Research use only, not for human use.
Receptor
Others

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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S4816-01Diatrizoate sodium
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A17075-200Diatrizoate sodium 200mg
A17075-100Diatrizoate sodium 100mg
A17075-500Diatrizoate sodium 500mg
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