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Details

Stereochemistry ACHIRAL
Molecular Formula C15H13NO5
Molecular Weight 287.2674
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICARBOXYLIC TOLMETIN

SMILES

CN1C(CC(O)=O)=CC=C1C(=O)C2=CC=C(C=C2)C(O)=O

InChI

InChIKey=JARNTMCBHAXPKM-UHFFFAOYSA-N
InChI=1S/C15H13NO5/c1-16-11(8-13(17)18)6-7-12(16)14(19)9-2-4-10(5-3-9)15(20)21/h2-7H,8H2,1H3,(H,17,18)(H,20,21)

HIDE SMILES / InChI

Approval Year

Name Type Language
DICARBOXYLIC TOLMETIN
Common Name English
5-(P-CARBOXYBENZOYL)-1-METHYLPYRROLE-2-ACETIC ACID
Systematic Name English
4-(5-(CARBOXYMETHYL)-1-METHYL-PYRROLE-2-CARBONYL)BENZOIC ACID
Systematic Name English
1-METHYL-5-(P-CARBOXYBENZOYL)PYRROLE-2-ACETIC ACID
Systematic Name English
1H-PYRROLE-2-ACETIC ACID, 5-(4-CARBOXYBENZOYL)-1-METHYL-
Systematic Name English
MCN 2987
Code English
Code System Code Type Description
PUBCHEM
193897
Created by admin on Sat Dec 16 13:59:22 UTC 2023 , Edited by admin on Sat Dec 16 13:59:22 UTC 2023
PRIMARY
FDA UNII
GW77GP7KOA
Created by admin on Sat Dec 16 13:59:22 UTC 2023 , Edited by admin on Sat Dec 16 13:59:22 UTC 2023
PRIMARY
CAS
53421-39-9
Created by admin on Sat Dec 16 13:59:22 UTC 2023 , Edited by admin on Sat Dec 16 13:59:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID90201589
Created by admin on Sat Dec 16 13:59:22 UTC 2023 , Edited by admin on Sat Dec 16 13:59:22 UTC 2023
PRIMARY