Compound Summary
Compound Information
ZOMEPIRAC SODIUM
Compound Name: | ZOMEPIRAC SODIUM |
Compound CID: | 16220118 |
Synonyms: | ZOMEPIRAC SODIUM Zomepirac sodium salt Sodium zomepirac 64092-48-4 Zomepirac (sodium salt) More... |
Iupac Name: | sodium;2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate |
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 |
InChIKey: | SEEXPXUCHVGZGU-UHFFFAOYSA-M |
Canonical Smiles: | CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.[Na+] |
Isomeric Smiles: | CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.[Na+] |
Molecular Weight: | 313.71 |
Molecular Formula: | C15H13ClNNaO3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
ZOMEPIRAC SODIUM
Molecular Weight: | 313.71 |
Molecular Formula: | C15H13ClNNaO3 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 21 |
Complexity: | 385 |
Synonyms
ZOMEPIRAC SODIUM
| ZOMEPIRAC SODIUM | ZOMEPIRAC SODIUM |
|---|---|
ZOMEPIRAC SODIUM |
Zomepirac sodium salt |
Sodium zomepirac |
64092-48-4 |
Zomepirac (sodium salt) |
UNII-DA5B6IWF46 |
sodium;2-5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-ylacetate |
DA5B6IWF46 |
McN-2783-21-98 |
NCGC00090751-01 |
CAS-64092-48-4 |
DSSTox_CID_13989 |
DSSTox_RID_79106 |
DSSTox_GSID_33989 |
Zomepirac sodium anhydrous |
SMR000686071 |
McN 2783-21-98 |
NCGC00094811-01 |
ZOMEPIRACSODIUMSALT |
EINECS 264-669-2 |
Sodium 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate |
5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid sodium salt |
Prestwick_973 |
1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-, sodium salt |
MLS001055441 |
MLS002153996 |
CHEMBL266459 |
DTXSID3033989 |
SCHEMBL11172041 |
HMS1570K20 |
HMS2097K20 |
HMS3714K20 |
HY-B0890 |
Tox21_111006 |
Tox21_111335 |
Tox21_202177 |
MFCD00057223 |
5-(p-Chlorobenzoyl)-1,4-dimethylpyrrole-2-acetic acid Sodium-Potassium salt |
AKOS015962410 |
Tox21_111006_1 |
CCG-220779 |
CS-4353 |
MCULE-3654355863 |
NCGC00017126-01 |
NCGC00094811-06 |
NCGC00259726-01 |
AC-17496 |
FT-0675929 |
ST51015168 |
Q27276294 |
sodium 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-ylacetate |
sodium 2-(5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl)acetate |
2-{5-(4-chlorophenyl)carbonyl-1,4-dimethylpyrrol-2-yl}acetic acid, sodium sa lt |
Experimental Data
ZOMEPIRAC SODIUM
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10 | umol/L | 16.57 | 17.33 | 4.587 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 44.63 | 48.47 | 8.608 | S | FEMALES | 33008901 | Active | ||||
| Drosophila melanogaster | 200 | umol/L | 43.17 | 42.39 | -1.798 | NS | MALES | 33008901 | Inactive |
Experimental Data Visualization
ZOMEPIRAC SODIUM
Statistics Data
ZOMEPIRAC SODIUM
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 4.587 | 1 | 1 | |
| Drosophila melanogaster | 8.608 | 1 | 2 |
Statistics Data Visualization
ZOMEPIRAC SODIUM
