Ioxaglate meglumineProduct ingredient for Ioxaglic acid
- Name
- Ioxaglate meglumine
- 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
- DBSALT001301
- Structure
Structure for Ioxaglate meglumine (DBSALT001301)
- Synonyms
- Not Available
- UNII
- 75JR975T11
- CAS Number
- 59018-13-2
- Weight
- Average: 1464.101
Monoisotopic: 1463.67651 - Chemical Formula
- C31H38I6N6O13
- InChI Key
- HUHDYASLFWQVOL-WZTVWXICSA-N
- InChI
- InChI=1S/C24H21I6N5O8.C7H17NO5/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;1-8-2-4(10)6(12)7(13)5(11)3-9/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
- IUPAC Name
- (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol; 3-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodo-5-(2-{[2,4,6-triiodo-3-(methylcarbamoyl)-5-(N-methylacetamido)phenyl]formamido}acetamido)benzoic acid
- SMILES
- CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC(=O)C1=C(I)C(C(=O)NCC(=O)NC2=C(I)C(C(O)=O)=C(I)C(C(=O)NCCO)=C2I)=C(I)C(N(C)C(C)=O)=C1I
- External Links
- KEGG Drug
- D04598
- ChemSpider
- 16736647
- ChEMBL
- CHEMBL1200508
- Predicted Properties
Property Value Source Water Solubility 0.0152 mg/mL ALOGPS logP 0.58 ALOGPS logP 3.75 Chemaxon logS -4.9 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 6 Chemaxon Polar Surface Area 194.24 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 214.05 m3·mol-1 Chemaxon Polarizability 82.94 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon