Tolmetin

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Systematic / IUPAC Name: 2-[1-Methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid

ID: Reference717

Other Names: 1-Methyl-5-p-toluoylpyrrole-2-acetic acid;
1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-;
5-(p-Toluoyl)-1-methylpyrrole-2-acetic acid;
1-Methyl-5-(4-methylbenzoyl)-pyrrole-2-acetic acid;
Pyrrole-2-acetic acid, 1-methyl-5-p-toluoyl- ; more

Formula: C15H15NO3

Class: Therapeutics/Prescription Drugs

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 146
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 2/26/2015 4:38:27 PM
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Identificators

InChI InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)
InChI Key UPSPUYADGBWSHF-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O
CAS 26171233
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Other Names 1-Methyl-5-p-toluoylpyrrole-2-acetic acid;
1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-;
5-(p-Toluoyl)-1-methylpyrrole-2-acetic acid;
1-Methyl-5-(4-methylbenzoyl)-pyrrole-2-acetic acid;
Pyrrole-2-acetic acid, 1-methyl-5-p-toluoyl-;
1-Methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetic acid;
Acido 1-metil-5-(p-tolnil)-pirrol-2-acetico;
[1-Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid;
2-(1-Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-YL)acetic acid;
Tolectin;
Tolmetina

In Other Databases

Wikipedia Tolmetin
KEGG C07149; D02355
DrugBank APRD01268
ChemSpider 5308
ChemIDPlus 026171233; 064490922; 035711343
ChEBI CHEBI:71941
HMDb HMDB14643
ChEMBL CHEMBL1020
PubChem 5509