Iodoxamate meglumineProduct ingredient for Iodoxamic acid
- Name
- Iodoxamate meglumine
- Drug Entry
- Iodoxamic acid
Radiopaque medium used in the diagnosis of gall bladder & bile duct diseases, usually as meglumine salt.
- Accession Number
- DBSALT002655 (DB09442)
- Structure
Structure for Iodoxamate meglumine (DBSALT002655)
- Synonyms
- Iodoxamic acid meglumine salt / Meglumine iodoxamate / Methylglucamine iodoxamate
- UNII
- CIX5G6J9R1
- CAS Number
- 51764-33-1
- Weight
- Average: 1678.355
Monoisotopic: 1677.80691 - Chemical Formula
- C40H60I6N4O20
- InChI Key
- LNBGFESBSAEKAE-VRWDCWMNSA-N
- InChI
- InChI=1S/C26H26I6N2O10.2C7H17NO5/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40);2*4-13H,2-3H2,1H3/t;2*4-,5+,6+,7+/m.00/s1
- IUPAC Name
- bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol); 3-{1-[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]-3,6,9,12-tetraoxapentadecan-15-amido}-2,4,6-triiodobenzoic acid
- SMILES
- CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)C1=C(I)C(NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(I)C(C(O)=O)=C(I)C=C2I)=C(I)C=C1I
- External Links
- ChemSpider
- 19961249
- Predicted Properties
Property Value Source Water Solubility 0.00284 mg/mL ALOGPS logP 4.13 ALOGPS logP 7.17 Chemaxon logS -5.7 ALOGPS pKa (Strongest Acidic) 2.03 Chemaxon pKa (Strongest Basic) -3.8 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 169.72 Å2 Chemaxon Rotatable Bond Count 31 Chemaxon Refractivity 218.95 m3·mol-1 Chemaxon Polarizability 88.78 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