Zomepirac

enlarge

Systematic / IUPAC Name: [5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid

ID: Reference7259

Other Names: Zomepiracum;
{5-[(4-Chlorophenyl)carbonyl]-1,4-dimethyl-1H-pyrrol-2-yl}acetic acid;
1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-;
2-(5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl)acetic acid;
2-[5-(4-Chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid ; more

Formula: C15H14ClNO3

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Zomepirac mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/22/2018 7:02:23 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H14ClNO3/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)
InChI Key ZXVNMYWKKDOREA-UHFFFAOYSA-N
Canonical SMILES CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl
CAS
Splash
Other Names Zomepiracum;
{5-[(4-Chlorophenyl)carbonyl]-1,4-dimethyl-1H-pyrrol-2-yl}acetic acid;
1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-;
2-(5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl)acetic acid;
2-[5-(4-Chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid;
5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid;
ZOM

In Other Databases

Wikipedia Zomepirac
ChEMBL CHEMBL19490
DrugBank DB04828
ChemIDPlus 033369312; 064092495; 064092484
ChemSpider 5531
ChEBI CHEBI:35859
PubChem 5733