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Ioxitalamic Acid

CAT: 0013-GTR19319308-08Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19319308-08Size:200 mg
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Description
Ioxitalamic acid is a contrast agent used in medical imaging to improve the visibility of internal structures. It is applied in radiographic procedures for in vivo diagnostic research, including angiography and urography, to study vascular and renal systems.
CAS Number
28179-44-4
Product Name Alternative
Telebrix, Vasobrix, Ioxitalamic Acid, Acidum Joxitalamicum
Field of Research
Pharmacology & Drug Discovery
Purity
98.60% (May vary between batches)
Solubility
DMSO:55 mg/mL (85.41 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:1.67 mg/mL (2.59 mM)
Molecular Weight
643.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ioxitalamic Acid

Iooxitalamic acid is an organoiodine compound that is 2,4,6-triiodobenzoic acid substituted by an acetylamino group at position 3 and a (2-hydroxyethyl)carbamoyl group at position 5. It is used as a contrast medium. It has a role as a xenobiotic, a radioopaque medium and an environmental contaminant. It is a member of acetamides, a member of benzoic acids, a dicarboxylic acid monoamide and an organoiodine compound.

CAS Number28179-44-4
PubChem CID34536
IUPAC Name3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
Molecular FormulaC12H11I3N2O5
Molecular Weight643.94
XLogP1.2
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity450
SMILES
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I
InChI
InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)
InChIKey
OLAOYPRJVHUHCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ioxitalamic Acid
CAS: 28179-44-4
CID: 34536
Formula: C12H11I3N2O5
MW: 643.94
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight643.94
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass643.7802
Monoisotopic Mass643.7802
Topological Polar Surface Area116 Ų
Heavy Atom Count22
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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