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Phenylbutazone
CAS: 50-33-9 | C19H20N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-33-9
Molecular Formula:
C19H20N2O2
Molecular Weight:
308.3810000000001 g/mol
Names and Synonyms:
Phenylbutazone
Common Name
Buzon
Synonym
Antadol
Synonym
Ia-But
Synonym
Flexazone
Synonym
Alindor
Synonym
Fenylbutazon
Synonym
1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine
Synonym
1,2-Diphenyl-3,5-dioxo-4-n-butylpyrazolidine
Synonym
Pyrabutol
Synonym
VAC-10
Synonym
Butadione
Synonym
Butadion
Synonym
Ticinil
Synonym
Shigrodin
Synonym
Reumuzol
Synonym
Reudox
Synonym
Reudo
Synonym
Pirarreumol B
Synonym
Phenylbutazone
Synonym
Phebuzine
Synonym
Fenibutazona
Synonym
1,2-Diphenyl-4-butyl-3,5-pyrazolidinedione
Synonym
Diphenylbutazone
Synonym
Diphebuzol
Synonym
3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine
Synonym
4-Butyl-1,2-diphenylpyrazolidine-3,5-dione
Synonym
4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine
Synonym
Butidiona
Synonym
Butazolidine
Synonym
Butazolidin
Synonym
Butapirazol
Synonym
Butalidon
Synonym
Artrizin
Synonym
G 13,871
Synonym
4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione
Synonym
3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
Synonym
Phen-Buta
Synonym
Butatron
Synonym
Tevcodyne
Synonym
NSC 25134
Synonym
Alkazone
Synonym
Phenylbutazon
Synonym
Equipalazone
Synonym
Butapirazole
Synonym
Kadol
Synonym
Artropan
Synonym
Todalgil
Synonym
Reumazin
Synonym
Arthrizon
Synonym
Butazina
Synonym
Butartrina
Synonym
4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione
Synonym
Uzone
Synonym
Bizolin 200
Synonym
Mephabutazon
Synonym
Robizone
Synonym
Fenibutal
Synonym
Tencodyne
Synonym
Butacote
Synonym
Butoz
Synonym
Benzone
Synonym
Betazed
Synonym
Azolid
Synonym
Zolaphen
Synonym
Fenilbutina
Synonym
Bunetzone
Synonym
Fenotone
Synonym
Ecobutazone
Synonym
Anuspiramin
Synonym
R-3-ZON
Synonym
Identifiers:
SMILES:
CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 308.3810000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 308.15247787999994 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 23 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.620000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.7878000000000025 | RDKit |
| molecular_mass | 308.38 g/mol | Legacy Database |
| density | 1.19 g/cm³ | Legacy Database |
| cas-canonical-smile | O=C1N(C=2C=CC=CC2)N(C=3C=CC=CC3)C(=O)C1CCCC None | Legacy Database |
| cas-density | 1.19 g/cm3 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=VYMDGNCVAMGZFE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 105 °C None | Legacy Database |
| cas-name | Phenylbutazone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 90.87100000000005 | RDKit |