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 [A32901].

Accession Number
DBSALT001368
Structure
Thumb
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
PropertyValueSource
Water Solubility0.00319 mg/mLALOGPS
logP1.97ALOGPS
logP2.76ChemAxon
logS-5.6ALOGPS
pKa (Strongest Acidic)2.16ChemAxon
pKa (Strongest Basic)-3.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area89.54 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity117.08 m3·mol-1ChemAxon
Polarizability39.67 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon