Ioxaglate sodiumProduct ingredient for Ioxaglic acid
- Name
- Ioxaglate sodium
- Drug Entry
- Ioxaglic acid
Ioxaglic acid is marketed as Hexabrix. This drug is an ionic tri-iodinated benzoate used as a low-osmolality contrast agent during diagnostic imaging procedures. Like other organic iodine compounds, ioxaglic acid blocks x-rays and is opaque in its appearance on x-ray film, improving the visualization of important structures and organs during angiography, arteriography, arthrography, cholangiography, urography, and computed tomography 7.
Ioxaglic acid has a low osmolarity and is associated with fewer side effects compared to older contrast agents 2.
- Accession Number
- DBSALT001300
- Structure
- Synonyms
- Not Available
- UNII
- HQ43CN02U9
- CAS Number
- 67992-58-9
- Weight
- Average: 1290.868
Monoisotopic: 1290.54778 - Chemical Formula
- C24H20I6N5NaO8
- InChI Key
- MBVDCEVFLAONHO-UHFFFAOYSA-M
- InChI
- InChI=1S/C24H21I6N5O8.Na/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);/q;+1/p-1
- IUPAC Name
- sodium 3-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodo-5-(2-{[2,4,6-triiodo-3-(methylcarbamoyl)-5-(N-methylacetamido)phenyl]formamido}acetamido)benzoate
- SMILES
- [Na+].CNC(=O)C1=C(I)C(N(C)C(C)=O)=C(I)C(C(=O)NCC(=O)NC2=C(I)C(C(=O)NCCO)=C(I)C(C([O-])=O)=C2I)=C1I
- External Links
- ChemSpider
- 45369
- ChEMBL
- CHEMBL1200743
- Wikipedia
- Ioxaglic_acid
- Predicted Properties
Property Value Source Water Solubility 0.0116 mg/mL ALOGPS logP 0.53 ALOGPS logP 3.75 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 2.13 Chemaxon pKa (Strongest Basic) -1.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 197.07 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 224.88 m3·mol-1 Chemaxon Polarizability 82.5 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon