Phenylbutazone

C₁₉H₂₀N₂O₂CAS 50-33-9308.38 g/mol

Open in Covalent MOL file

Amide Lactam

Properties

Molecular formula: C₁₉H₂₀N₂O₂
Molar mass: 308.38 g/mol
Exact mass: 308.1525 Da
Density: 1.19 g/mL
Melting point: 105 °C
Water solubility: 34 mg/L (25 °C)
logP: 3.79Crippen estimate
Polar surface area: 40.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Danger

H301 Toxic if swallowed94.3% of notifiers
H312 Harmful in contact with skin67.1% of notifiers
H315 Causes skin irritation72.1% of notifiers
H317 May cause an allergic skin reaction40% of notifiers
H319 Causes serious eye irritation97.1% of notifiers
H332 Harmful if inhaled68.6% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled39.3% of notifiers
H335 May cause respiratory irritation72.9% of notifiers
H351 Suspected of causing cancer64.3% of notifiers
H361 Suspected of damaging fertility or the unborn child22.9% of notifiers

Aggregated from 140 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

50-33-9

SMILES

CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O

InChIKey

VYMDGNCVAMGZFE-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

69 names · show all

3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione
G 13,871
Artrizin
Butalidon
Butapirazol
Butazolidin
Butazolidine
Butidiona
4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine
4-Butyl-1,2-diphenylpyrazolidine-3,5-dione
3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine
Diphebuzol
Diphenylbutazone
1,2-Diphenyl-4-butyl-3,5-pyrazolidinedione
Fenibutazona
Phebuzine
Pirarreumol B
Reudo
Reudox
Reumuzol
Shigrodin
Ticinil
Butadion
Butadione
VAC-10
Pyrabutol
1,2-Diphenyl-3,5-dioxo-4-n-butylpyrazolidine
1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine
Fenylbutazon
Alindor
Flexazone
Ia-but
Antadol
Buzon
R-3-ZON
Anuspiramin
Ecobutazone
Fenotone
Bunetzone
Fenilbutina
Zolaphen
Azolid
Betazed
Benzone
Butoz
Butacote
Tencodyne
Fenibutal
Robizone
Mephabutazon
Bizolin 200
Uzone
4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione
Butartrina
Butazina
Arthrizon
Reumazin
Todalgil
Artropan
Kadol
Butapirazole
Equipalazone
Phenylbutazon
Alkazone
NSC 25134
Tevcodyne
Butatron
Phen-buta

Work with Phenylbutazone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Oxazolidin129-20-482 % similar Feprazone30748-29-955 % similar Sulfinpyrazone57-96-555 % similar 1,1-Diphenylpentane1726-12-147 % similar Butylacetanilide91-49-645 % similar 2-Bromo-1-phenylhexan-1-one59774-06-044 % similar 1-Phenyl-1-pentanol583-03-944 % similar N,N-Dibutylbenzenamine613-29-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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