IUPAC name
(2S)-2-(3-benzoylphenyl)propanoic acid
SMILES
[H][C@@](C)(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1
Compound class
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Propionic Acid Derivatives;
Therapeutic area
For short-term treatment of mild to moderate pain, including dysmenorrhoea.
Common name
Dexketoprofen
IUPAC name
(2S)-2-(3-benzoylphenyl)propanoic acid
SMILES
[H][C@@](C)(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1
INCHI
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
FORMULA
C16H14O3
Common name
Dexketoprofen
IUPAC name
(2S)-2-(3-benzoylphenyl)propanoic acid
Molecular weight
254.281
clogP
3.366
clogS
-3.315
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
54.37
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00047 | propionic acid |
|
CCC(=O)O | 0.0395 |
| FDBF01007 | benzaldehyde |
|
c1(ccccc1)C=O | 0.0086 |
| FDBF04296 | (2S)-2-phenylpropanoic acid |
|
c1ccc(cc1)C(C)C(=O)O | 0.0010 |
| FDBF04299 | (2S)-2-(3-formylphenyl)propanoic acid |
|
O=Cc1cc(ccc1)C(C)C(=O)O | 0.0003 |
5 ,
1
