Meglumine ioxitalamateProduct ingredient for Ioxitalamic acid
- Name
- Meglumine ioxitalamate
- Drug Entry
- Ioxitalamic acid
Ioxitalamate is an ionic iodinated contrast medium.1 It is a first-generation contrast media formed by an ionic monomer with a high osmolarity of 1500-1800 mOsm/kg.2 Ioxitalamic acid in the salt forms of sodium and meglumine was developed by Liebel-Flarshem Canada Inc and approved by Health Canada in 1995. Until the last review in 2015, this drug is still available in the market.7
- Accession Number
- DBSALT002569
- Structure
Structure for Meglumine ioxitalamate (DBSALT002569)
- Synonyms
- Ioxitalamate meglumine / Meglumine ioxithalamate
- UNII
- 5791GC9HSW
- CAS Number
- 29288-99-1
- Weight
- Average: 839.157
Monoisotopic: 838.89088 - Chemical Formula
- C19H28I3N3O10
- InChI Key
- IFTFXKNYTWAOGK-WZTVWXICSA-N
- InChI
- InChI=1S/C12H11I3N2O5.C7H17NO5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;1-8-2-4(10)6(12)7(13)5(11)3-9/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);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-acetamido-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
- SMILES
- CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(C(=O)NCCO)=C1I
- External Links
- ChemSpider
- 19959620
- Predicted Properties
Property Value Source Water Solubility 0.265 mg/mL ALOGPS logP 1.36 ALOGPS logP 2.04 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 2.13 Chemaxon pKa (Strongest Basic) -1.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 115.73 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 108.53 m3·mol-1 Chemaxon Polarizability 41.58 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon