Zomepirac sodiumProduct ingredient for Zomepirac
- Name
- Zomepirac sodium
- Drug Entry
- Zomepirac
Zomepirac, formerly marketed as Zomax tablets, was associated with fatal and near-fatal anaphylactoid reactions. The manufacturer voluntarily removed Zomax tablets from the Canadian, US, and UK markets in March 1983.
- Accession Number
- DBSALT002461
- Structure
Structure for Zomepirac sodium (DBSALT002461)
- Synonyms
- Zomepirac sodium dihydrate / Zomepirac sodium salt dihydrate
- External IDs
- MCN-2783-21-98
- UNII
- Y0185WZ209
- CAS Number
- 64092-49-5
- Weight
- Average: 349.74
Monoisotopic: 349.0692946 - Chemical Formula
- C15H17ClNNaO5
- InChI Key
- ZJXLSCXDGPDZOL-UHFFFAOYSA-M
- InChI
- InChI=1S/C15H14ClNO3.Na.2H2O/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;;;/h3-7H,8H2,1-2H3,(H,18,19);;2*1H2/q;+1;;/p-1
- IUPAC Name
- sodium 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate dihydrate
- SMILES
- O.O.[Na+].CN1C(CC([O-])=O)=CC(C)=C1C(=O)C1=CC=C(Cl)C=C1
- External Links
- ChemSpider
- 5293678
- ChEMBL
- CHEMBL3989403
- Predicted Properties
Property Value Source Water Solubility 0.0458 mg/mL ALOGPS logP 3.01 ALOGPS logP 3.33 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 3.83 Chemaxon pKa (Strongest Basic) -7.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 62.13 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 88.03 m3·mol-1 Chemaxon Polarizability 29.28 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon