IUPAC name
4-butyl-1,2-diphenylpyrazolidine-3,5-dione
SMILES
CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1
Compound class
Anti-Inflammatory Agents, Non-Steroidal; 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; Butylpyrazolidines; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors;
Therapeutic area
For the treatment of backache and ankylosing spondylitis.
Common name
Phenylbutazone
IUPAC name
4-butyl-1,2-diphenylpyrazolidine-3,5-dione
SMILES
CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1
INCHI
InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
FORMULA
C19H20N2O2
Common name
Phenylbutazone
IUPAC name
4-butyl-1,2-diphenylpyrazolidine-3,5-dione
Molecular weight
308.374
clogP
2.891
clogS
-4.037
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
40.62
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF01855 | 1-phenylpyrazolidine-3,5-dione |
|
c1(ccccc1)N2C(=O)CC(=O)N2 | 0.0007 |
| FDBF01857 | 1,2-diphenylpyrazolidine-3,5-dione |
|
c1(ccccc1)N2N(C(=O)CC2=O)c3ccccc3 | 0.0007 |
| FDBF01858 | (4S)-4-methyl-1-phenyl-pyrazolidine-3,5-dione |
|
c1(ccccc1)N2C(=O)C(C(=O)N2)C | 0.0007 |
| FDBF01859 | (4R)-4-methyl-1-phenyl-pyrazolidine-3,5-dione |
|
c1(ccccc1)N2NC(=O)C(C2=O)C | 0.0007 |
| FDBF01860 | 4-ethylpyrazole-3,5-dione |
|
C(C1C(=O)N=NC1=O)C | 0.0007 |
| FDBF01861 | 4-methyl-1,2-diphenyl-pyrazolidine-3,5-dione |
|
c1(ccccc1)N2N(C(=O)C(C2=O)C)c3ccccc3 | 0.0007 |
| FDBF01862 | (4S)-4-ethyl-1-phenyl-pyrazolidine-3,5-dione |
|
c1(ccccc1)N2C(=O)C(C(=O)N2)CC | 0.0007 |
| FDBF01865 | 4-ethyl-1,2-diphenyl-pyrazolidine-3,5-dione |
|
c1(ccccc1)N2N(C(=O)C(C2=O)CC)c3ccccc3 | 0.0007 |
| FDBF01866 | pyrazole-3,5-dione |
|
O=C1N=NC(=O)C1 | 0.0007 |
