tolmetin   

GtoPdb Ligand ID: 7311

Synonyms: MCN-2559 | McN-2559-21-98 | Tolectin®
tolmetin is an approved drug (FDA (1976))
Compound class: Synthetic organic
Comment: Tolmetin is a nonsteroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic activity.
Marketed formulations may contain tolmetin sodium (PubChem CID 23665411).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 59.3
Molecular weight 257.11
XLogP 2.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C
Isomeric SMILES OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C
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
Classification
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (FDA (1976))
IUPAC Name
2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid
International Nonproprietary Names
INN number INN
2861 tolmetin
Synonyms
MCN-2559 | McN-2559-21-98 | Tolectin®
Comments
Tolmetin is a nonsteroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic activity.
Marketed formulations may contain tolmetin sodium (PubChem CID 23665411).
Database Links
CAS Registry No. 26171-23-3
ChEMBL Ligand CHEMBL1020
DrugBank Ligand DB00500
DrugCentral Ligand 2699
GtoPdb PubChem SID 178103884
PubChem CID 5509
RCSB PDB Ligand TLT
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Wikipedia Tolmetin