Tyropanoate sodiumProduct ingredient for Tyropanoic acid
- Name
- Tyropanoate sodium
- Drug Entry
- Tyropanoic acid
Tyropanoic acid is a radiocontrast agent used in cholecystography, the X-ray diagnosis of gallstones under the trade names include Bilopaque, Lumopaque, Tyropaque, and Bilopac. The molecule contains three heavy iodine atoms which obstruct X-rays in the same way as the calcium in bones, which results in a visible image 9.
- Accession Number
- DBSALT001341
- Structure
Structure for Tyropanoate sodium (DBSALT001341)
- Synonyms
- Sodium tyropanoate
- UNII
- XRJ0P5FAYO
- CAS Number
- 7246-21-1
- Weight
- Average: 663.008
Monoisotopic: 662.82402 - Chemical Formula
- C15H17I3NNaO3
- InChI Key
- KTVKGXZZBQCBGD-UHFFFAOYSA-M
- InChI
- InChI=1S/C15H18I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1
- IUPAC Name
- sodium N-[3-(2-carboxy-2-ethylethyl)-2,4,6-triiodophenyl]butanecarboximidate
- SMILES
- [Na+].CCCC([O-])=NC1=C(I)C=C(I)C(CC(CC)C(O)=O)=C1I
- External Links
- ChemSpider
- 22138
- ChEBI
- 32273
- ChEMBL
- CHEMBL1200899
- Wikipedia
- Tyropanoic_acid
- Predicted Properties
Property Value Source Water Solubility 0.00201 mg/mL ALOGPS logP 4.65 ALOGPS logP 6.94 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 2.44 Chemaxon pKa (Strongest Basic) -0.34 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 72.72 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 126.63 m3·mol-1 Chemaxon Polarizability 44.89 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