Molecule ID: 23665411

IUPAC Name: sodium;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate

Description: The molecule is an organic sodium salt that is the monosodium salt of tolmetin. Used in the form of its dihydrate as a nonselective nonsteroidal anti-inflammatory drug. It has a role as an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a non-steroidal anti-inflammatory drug. It contains a tolmetin(1-).

SMILES: Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.[Na+]

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][C].[Na+1]

InChI: InChI=1S/C15H15NO3.Na/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);/q;+1/p-1

Molecular Properties:
- Polar Surface Area: 62.1 Ų
- LogP: nan