U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H17NO3
Molecular Weight 271.3111
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tolmetin methyl ester

SMILES

COC(=O)CC1=CC=C(N1C)C(=O)C2=CC=C(C)C=C2

InChI

InChIKey=SIXINSDWVSIFEY-UHFFFAOYSA-N
InChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(19)14-9-8-13(17(14)2)10-15(18)20-3/h4-9H,10H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Tolmetin methyl ester
Systematic Name English
1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, methyl ester
Systematic Name English
Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
Systematic Name English
Pyrrole-2-acetic acid, 1-methyl-5-p-toluoyl-, methyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
118468
Created by admin on Sat Dec 16 12:39:25 GMT 2023 , Edited by admin on Sat Dec 16 12:39:25 GMT 2023
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EPA CompTox
DTXSID50186989
Created by admin on Sat Dec 16 12:39:25 GMT 2023 , Edited by admin on Sat Dec 16 12:39:25 GMT 2023
PRIMARY
FDA UNII
BBY6FVJ9SK
Created by admin on Sat Dec 16 12:39:25 GMT 2023 , Edited by admin on Sat Dec 16 12:39:25 GMT 2023
PRIMARY
CAS
33369-52-7
Created by admin on Sat Dec 16 12:39:25 GMT 2023 , Edited by admin on Sat Dec 16 12:39:25 GMT 2023
PRIMARY
ECHA (EC/EINECS)
251-480-5
Created by admin on Sat Dec 16 12:39:25 GMT 2023 , Edited by admin on Sat Dec 16 12:39:25 GMT 2023
PRIMARY