tolfenamic acid   Click here for help

GtoPdb Ligand ID: 8769

Synonyms: Clotam®
Approved drug PDB Ligand
tolfenamic acid is an approved drug (UK (1997))
Compound class: Synthetic organic
Comment: Tolfenamic acid is a non-steroidal anti-inflammatory drug (NSAID) with analgesic, antipyretic and anti-inflammatory actions [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 49.33
Molecular weight 261.06
XLogP 4.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1ccccc1Nc1cccc(c1C)Cl
Isomeric SMILES OC(=O)c1ccccc1Nc1cccc(c1C)Cl
InChI InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChI Key YEZNLOUZAIOMLT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (UK (1997))
IUPAC Name Click here for help
2-[(3-chloro-2-methylphenyl)amino]benzoic acid
International Nonproprietary Names Click here for help
INN number INN
2926 tolfenamic acid
Synonyms Click here for help
Clotam®
Database Links Click here for help
CAS Registry No. 13710-19-5
ChEMBL Ligand CHEMBL121626
DrugCentral Ligand 2698
GtoPdb PubChem SID 252827427
PubChem CID 610479
RCSB PDB Ligand TLF
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Wikipedia Tolfenamic acid