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| CAS No.: | 129-20-4 |
|---|---|
| Name: | OXYPHENYL BUTAZONE |
| Molecular Structure: | |
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| Formula: | C19H20 N2 O3 |
| Molecular Weight: | 324.379 |
| Synonyms: | 3,5-Pyrazolidinedione,4-butyl-1-(p-hydroxyphenyl)-2-phenyl- (6CI,7CI,8CI); 1-(p-Hydroxyphenyl)-2-phenyl-4-butyl-3,5-pyrazolidinedione;1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-butylpyrazolidine;1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-n-butylpyrazolidine;1-p-Hydroxyphenyl-2-phenyl-3,5-dioxo-4-n-butylpyrazolidine;4-Butyl-2-(4-hydroxyphenyl)-1-phenyl-3,5-dioxopyrazolidine;4-Butyl-2-(p-hydroxyphenyl)-1-phenyl-3,4-pyrazolidinedione;4-Butyl-2-(p-hydroxyphenyl)-1-phenyl-3,5-pyrazolidinedione; Butapirone;Californit; Crovaril; Flamaril; Floghene; Flogitolo; Flogoril; Frabel; G 27202;Metabolite I; NSC 526053; Neo-Farmadol; Offitril; Oxalid; Oxazolidin;Oxyphenbutazone; Oxyphenobutazone; Oxyphenylbutazone; Rapostan; Ro 04-4410;Romaxin; Suganril; Tandacote; Tandearil; Tanderil; Telidal; Tendearil;Visubutina; p-Hydroxyphenylbutazone; p-Oxyphenylbutazone |
| EINECS: | 204-936-2 |
| Density: | 1.241g/cm3 |
| Melting Point: | 109-111°C |
| Boiling Point: | 485.6°Cat760mmHg |
| Flash Point: | 247.5°C |
| Solubility: | 20mg/L(room temperature) |
| Hazard Symbols: | Xn,N |
| Risk Codes: | 22-50 |
| Safety: | A poison by ingestion, intraperitoneal, and intravenous routes. Moderately toxic to humans by ingestion. Human systemic effects: agranulocytosis, dermatitis, diarrhea, fever, hemorrhage, hepatitis, hypermotility, nausea or vomiting, salivary gland changes, thrombocytopenia. Experimental reproductive effects. Questionable carcinogen. Mutation data reported. Used as an anti-inflammatory agent. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 60.85000 |
| LogP: | 3.62340 |
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Chemistry
Product Name: Oxyphenbutazone (CAS NO.129-20-4)
Molecular Formula: C19H20N2O3
Molecular Weight: 324.37g/mol
Mol File: 129-20-4.mol
Einecs: 204-936-2
Boiling point: 485.6 °C at 760 mmHg
Flash Point: 247.5 °C
Density: 1.241 g/cm3
Surface Tension: 52.9 dyne/cm
Enthalpy of Vaporization: 77.97 kJ/mol
Vapour Pressure: 4.7E-10 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Oxyphenbutazone (CAS NO.129-20-4):
IUPAC Name: 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
Canonical SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)O)C3=CC=CC=C3
InChI: InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3
InChIKey: HFHZKZSRXITVMK-UHFFFAOYSA-N
Product Categories: Active Pharmaceutical Ingredients; Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| child | LDLo | oral | 420mg/kg/4W-I (420mg/kg) | LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE" BLOOD: AGRANULOCYTOSIS BLOOD: THROMBOCYTOPENIA | British Medical Journal. Vol. 2, Pg. 1517, 1962. |
| dog | LD50 | intravenous | 178mg/kg (178mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 149, Pg. 571, 1964. |
| guinea pig | LD50 | oral | 1165mg/kg (1165mg/kg) | Pharmacology: International Journal of Experimental and Clinical Pharmacology. Vol. 11, Pg. 220, 1974. | |
| hamster | LD50 | oral | 1180mg/kg (1180mg/kg) | Archives of Toxicology, Supplement. Vol. 7, Pg. 365, 1984. | |
| man | TDLo | oral | 27mg/kg/14D (27mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: HEMORRHAGE | Laekartidningen. Medical News. Vol. 63, Pg. 53, 1966. |
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD414-344, | |
| mouse | LD50 | intravenous | 52mg/kg (52mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 10, Pg. 129, 1960. |
| mouse | LD50 | oral | 330mg/kg (330mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 63, Pg. 43, 1967. |
| rabbit | LD50 | intravenous | 104mg/kg (104mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Annals of the New York Academy of Sciences. Vol. 86, Pg. 263, 1960. |
| rat | LD50 | intraperitoneal | 145mg/kg (145mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 63, Pg. 43, 1967. |
| rat | LD50 | intravenous | 68mg/kg (68mg/kg) | Medicina Experimentalis. Vol. 6, Pg. 88, 1962. | |
| rat | LD50 | oral | 329mg/kg (329mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 63, Pg. 43, 1967. |
| women | TDLo | oral | 24mg/kg/4D (24mg/kg) | GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS ENDOCRINE: OTHER CHANGES | JAMA, Journal of the American Medical Association. Vol. 238, Pg. 1399, 1977. |
| women | TDLo | oral | 50mg/kg/7D (50mg/kg) | SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | Laekartidningen. Medical News. Vol. 63, Pg. 53, 1966. |
Consensus Reports
IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 13 , 1977,p. 183.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .
Safety Profile
A poison by ingestion, intraperitoneal, and intravenous routes. Moderately toxic to humans by ingestion. Human systemic effects: agranulocytosis, dermatitis, diarrhea, fever, hemorrhage, hepatitis, hypermotility, nausea or vomiting, salivary gland changes, thrombocytopenia. Experimental reproductive effects. Questionable carcinogen. Mutation data reported. Used as an anti-inflammatory agent. When heated to decomposition it emits toxic fumes of NOx.
Specification
Oxyphenbutazone ,its CAS NO. is 129-20-4,the synonyms is 1-(p-Hydroxyphenyl)-2-phenyl-4-butyl-3,5-pyrazolidinedione ; 1-Phenyl-2-(p-hydroxyphenyl)-3,5-dioxo-4-butylpyrazolidine ; 1-p-Hydroxyphenyl-2-phenyl-3,5-dioxo-4-N-butylpyrazolidine ; 3,5-Dioxo-1-phenyl-2-(p-hydroxyphenyl)-4-N-butylpyrazolidene ; 3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl ; 4-Butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione ; Aradinum ; Artroflog ; Butapirone ; Californit ; Etrozolidina ; Flamaril ; Flegmostam ; Hydroxyphenylbutazon ; Idrobutazina ; Metabolite I ; Oxyphenbutazone anhydrous ; Oxyphenbutazonum ; p-Hydroxyphenylbutazone ; p-Oxyphenylbutazone .