Calcium metrizoateProduct ingredient for Metrizoic acid
- Name
- Calcium metrizoate
- Drug Entry
- Metrizoic acid
Metrizoic acid is a molecule used as a contrast medium. It present a higher risk of allergic reactions due to its high osmolality. Its approval has been discontinued by the FDA. One study in 1976 demonstrated that metrizoic acid, when used for cardiac angiography, was well tolerated. A total of 10, 000 injections were administered to 2,028 patients undergoing angiocardiographic procedures over a three-year period. With two exceptions, all complications occurred during injection of the right coronary artery. Seven cases of ventricular fibrillation, and 5 of significant bradycardia/asystole, were associated with metrizoic acid injection. In general, the drug was well tolerated by patients during cardiac examinations 1.
- Accession Number
- DBSALT001368
- Structure
Structure for Calcium metrizoate (DBSALT001368)
- Synonyms
- Not Available
- UNII
- 1I3Z5LHR6P
- CAS Number
- 20828-80-2
- Weight
- Average: 1293.949
Monoisotopic: 1293.51752 - Chemical Formula
- C24H20CaI6N4O8
- InChI Key
- PPUUBZDQNSSJDN-UHFFFAOYSA-L
- InChI
- InChI=1S/2C12H11I3N2O4.Ca/c2*1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;/h2*1-3H3,(H,16,18)(H,20,21);/q;;+2/p-2
- IUPAC Name
- calcium bis(3-acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoate)
- SMILES
- [Ca++].CN(C(C)=O)C1=C(I)C(NC(C)=O)=C(I)C(C([O-])=O)=C1I.CN(C(C)=O)C1=C(I)C(NC(C)=O)=C(I)C(C([O-])=O)=C1I
- External Links
- ChemSpider
- 8594376
- ChEMBL
- CHEMBL2068723
- Wikipedia
- Metrizoic_acid
- Predicted Properties
Property Value Source Water Solubility 0.00319 mg/mL ALOGPS logP 1.97 ALOGPS logP 2.76 Chemaxon logS -5.6 ALOGPS pKa (Strongest Acidic) 2.16 Chemaxon pKa (Strongest Basic) -3.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 89.54 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 117.08 m3·mol-1 Chemaxon Polarizability 39.67 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