Molecular Identity
Tolmetin
2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetic acid
PubChem CID: 5509
Tolmetin is a monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug. It has a role as a non-steroidal anti-inflammatory drug and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It is a monocarboxylic acid, a member of pyrroles and an aromatic ketone. It is a conjugate acid of a tolmetin(1-).
2D Structure
Properties
C15H15NO3
Molecular Formula
257.28
Molecular Weight
g/mol
257.1052
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
59.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
347
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OIsomeric SMILES
SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)OSynonyms(20)
tolmetin26171-23-31-Methyl-5-p-toluoylpyrrole-2-acetic acidTolmetineTolectinTolmetinaTolmetinumTolmetinoMcN-25591H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-2-(1-METHYL-5-(4-METHYLBENZOYL)-1H-PYRROL-2-YL)ACETIC ACIDMCN 25591-Methyl-5-(4-methylbenzoyl)-pyrrole-2-acetic acid5-(p-Toluoyl)-1-methylpyrrole-2-acetic acid2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tolmetin
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