Compound Selection

Formula: C19H20N2O2

MW: 308.38

CAS: 50-33-9

MDL NUMBER: MFCD00005500

IUPAC: 4-butyl-1,2-diphenyl-1,2-diazolidine-3,5-dione

Smiles: N1(N(C(=O)C(C1=O)CCCC)c1ccccc1)c1ccccc1

THERAPEUTIC CATEGORY: Anti-inflammatory

ACCEPTORS: 2

DONORS: 0

ROTATION BONDS: 3

N+O: 4

Chiral Centers: 0

LogP: 3.63

LogS: -4.62

LIPINSKI: 4

Synonyms: PHENYLBUTAZONE;1,2-Diphenyl-2,3-dioxo-4-N-butylpyrazoline;1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine;1,2-Diphenyl-4-butyl-3,5-dioxopyrazolidine;1,2-Diphenyl-4-butyl-3,5-pyrazolidinedione;3,5-dioxe-4buty-1,diphenyl-pyrazolidine;3,5-dioxo01,2-diphenyl-4-m-butyl-pyrazolidine;3,5-Dioxo-1,2-diphenyl-4-N-butyl-pyrazolidin

CAS:50-33-9

MF:C19H20N2O2

MW:308.37

EINECS:200-029-0

Product Categories:Intermediates & Fine Chemicals;Pharmaceuticals Phenylbutazone

Chemical Properties: mp 104-107 C Water Solubility <0.1 g/100 mL at 23.5 C Merck 14,7277 BRN 290080 Stability:Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.

CAS DataBase Reference: 50-33-9(

CAS DataBase Reference: ) NIST Chemistry ReferencePhenylbutazone(50-33-9) EPA Substance Registry System3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-(50-33-9) Xn,T Risk Statements 36/37/38-20/21/22-42/43-45 Safety Statements 36/37/39-26-45-22-53 RIDADR 3249 RTECS UQ8225000 HazardClass 6.1(b) PackingGroup III Hazardous Substances Data50-33-9(Hazardous Substances Data) 4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione Phenylbutazone

Usage And Synthesis:

Chemical Properties: Off-Whtie Solid UsageA non-steroidal anti-inflammatory compound. An inhibitor of cyclooxygenase that is also a substrate for peroxidation by cyclooxygenase General DescriptionOdorless white or off-white crystalline powder. Tasteless at first, but slightly bitter aftertaste. pH (aqueous solution) 8.2. Air & Water ReactionsPhenylbutazone is relatively stable at ambient temperatures. Aqueous decomposition of Phenylbutazone occurs by hydrolysis and oxidation. Insoluble in water. Reactivity ProfilePhenylbutazone is incompatible with strong oxidizers, strong acids and strong bases. . Fire HazardFlash point data for Phenylbutazone are not available; however, Phenylbutazone is probably combustible. Phenylbutazone

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