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
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
PubChem Compound
16220118
ChemSpider
43039
ChEBI
100111
ChEMBL
CHEMBL266459
Predicted Properties
PropertyValueSource
Water Solubility0.0458 mg/mLALOGPS
logP3.01ALOGPS
logP3.33Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)3.83Chemaxon
pKa (Strongest Basic)-7.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area62.13 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity88.03 m3·mol-1Chemaxon
Polarizability29.3 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon