IUPAC name
2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid
SMILES
CN1C(CC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1
Compound class
Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; Musculo-Skeletal System; Acetic Acid Derivatives and Related Substances; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain;
Therapeutic area
For the relief of signs and symptoms of rheumatoid arthritis and osteoarthritis, including the treatment of acute flares long-term management. Also for treatment of juvenile rheumatoid arthritis.
Common name
Tolmetin
IUPAC name
2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid
SMILES
CN1C(CC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1
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)
FORMULA
C15H15NO3
Common name
Tolmetin
IUPAC name
2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid
Molecular weight
257.285
clogP
2.635
clogS
-2.897
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
59.3
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00004 | acetic acid |
|
CC(=O)O | 0.0687 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00209 | 1-methylpyrrolidine |
|
N1(CCCC1)C | 0.0076 |
| FDBF00722 | 4-methylbenzaldehyde |
|
O=Cc1ccc(cc1)C | 0.0010 |
| FDBF01108 | 2-(1-methylpyrrol-2-yl)acetic acid |
|
n1(c(ccc1)CC(=O)O)C | 0.0003 |
| FDBF01109 | 1-methylpyrrole-2-carbaldehyde |
|
n1(cccc1C=O)C | 0.0003 |
| FDBF01110 | 2-(5-formyl-1-methyl-pyrrol-2-yl)acetic acid |
|
n1(c(ccc1C=O)CC(=O)O)C | 0.0003 |
| FDBF01111 | (1-methylpyrrol-2-yl)-(p-tolyl)methanone |
|
n1(cccc1C(=O)c2ccc(cc2)C)C | 0.0003 |
