Zomepirac sodium anhydrousProduct ingredient for Zomepirac
- Name
- Zomepirac sodium anhydrous
- 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
- DBSALT000335
- Structure
Structure for Zomepirac sodium anhydrous (DBSALT000335)
- Synonyms
- Not Available
- UNII
- DA5B6IWF46
- CAS Number
- 64092-48-4
- Weight
- Average: 313.711
Monoisotopic: 313.048165669 - Chemical Formula
- C15H13ClNNaO3
- InChI Key
- SEEXPXUCHVGZGU-UHFFFAOYSA-M
- InChI
- InChI=1S/C15H14ClNO3.Na/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);/q;+1/p-1
- IUPAC Name
- sodium 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate
- SMILES
- [Na+].CN1C(CC([O-])=O)=CC(C)=C1C(=O)C1=CC=C(Cl)C=C1
- External Links
- PubChem Compound
- 16220118
- ChemSpider
- 43039
- ChEBI
- 100111
- ChEMBL
- CHEMBL266459
- 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 29.3 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