Basic information
- Name:
3,5-Pyrazolidinedione,4-(3-oxobutyl)-1,2-diphenyl-
- CAS No.:
853-34-9
- Molecular Structure:
- Formula:
- C19H18 N2 O3
- Molecular Weight:
- 322.39
- Synonyms:
- 1,2-Diphenyl-4-(2-acetylethyl)pyrazolidine-3,5-dione;Chebutan; Chepirol; Chetazol; Chetazolidin; Chetil; Chetopir; Copirene; Ejor;Gammachetone; KPB; Kebuzone; Ketanol; Ketason; Ketazon; Ketazone;Ketophenylbutazone; Pecnon; Phloguron; Recheton; Reuchetal; g-Ketazone; g-Ketophenylbutazone; g-Oxophenylbutazone
- Safety Description:
- Moderately toxic by ingestion, intraperitoneal, intravenous, and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx. Details
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Chemistry
Empirical Formula of Ketophenylbutazone (CAS NO.853-34-9): C19H18N2O3
Molecular Weight: 322.3578 g/mol
EINECS: 212-715-7
Index of Refraction: 1.598
Density: 1.24 g/cm3
Flash Point: 199.5 °C
Enthalpy of Vaporization: 72.39 kJ/mol
Boiling Point: 462.8 °C at 760 mmHg
Vapour Pressure: 9.57E-09 mmHg at 25 °C
Structure of Ketophenylbutazone (CAS NO.853-34-9):
IUPAC Name: 4-(3-Oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione
Canonical SMILES: CC(=O)CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3
InChIKey: LGYTZKPVOAIUKX-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | orl-rat LD50:1551 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390. | ||
| 2. | ipr-rat LD50:683 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390. | ||
| 3. | ivn-rat LD50:616 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),265. | ||
| 4. | ipr-mus LD50:662 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390. | ||
| 5. | scu-mus LD50:620 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390. | ||
| 6. | ivn-mus LD50:580 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 3 (1969),390. |
Safety Profile
Moderately toxic by ingestion, intraperitoneal, intravenous, and subcutaneous routes. When heated to decomposition Ketophenylbutazone (CAS NO.853-34-9) emits toxic fumes of NOx.
Specification
Ketophenylbutazone , its cas register number is 853-34-9. It also can be called Kebuzone ; Chebutan ; and 1,2-Diphenyl-4-(3'-oxobutyl)-3,5-dioxopyrazolidine .