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| CAS No.: | 17449-96-6 |
|---|---|
| Name: | 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide, compound with 4-butyl-1,2-diphenyltetrahydropyrazol-3,5-dione (1:1) |
| Molecular Structure: | |
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|
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| Formula: | C14H21ClN2O2•C19H20N2O2 |
| Molecular Weight: | 593.166 |
| Synonyms: | Clofezon;Clofexamide-phenylbutazone mixt;Perclusone;Clofexamide,phenylbutazone;Percluson;EINECS 241-466-7; |
| Density: | g/cm3 |
| Boiling Point: | 424.9°Cat760mmHg |
| Flash Point: | 174.3°C |
| Safety: | Poison by ingestion. Moderately toxic by intraperitoneal route. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits very toxic fumes of Cl− and NOx. |
| PSA: | 85.68000 |
| LogP: | 6.93490 |
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Chemistry
Molecule structure of Clofexamide, phenylbutazone (CAS NO.17449-96-6):
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IUPAC Name: 4-Butyl-1,2-diphenylpyrazolidine-3,5-dione;2-(4-chlorophenoxy)-N-(2-diethylaminoethyl)acetamide
Molecular Weight: 593.15604 g/mol
Molecular Formula: C33H41ClN4O4
Boiling Point: 424.9 °C at 760 mmHg
Flash Point: 174.3 °C
Enthalpy of Vaporization: 67.94 kJ/mol
Vapour Pressure: 2E-07 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 13
Tautomer Count: 4
Exact Mass: 592.281634
MonoIsotopic Mass: 592.281634
Topological Polar Surface Area: 82.2
Heavy Atom Count: 42
Complexity: 641
Canonical SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CCN(CC)CCNC(=O)C1=CC=C(C=C1)Cl
InChI: InChI=1S/C19H20N2O2.C14H21ClN2O2/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;1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13/h4-13,17H,2-3,14H2,1H3;5-8H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKey: ICBCZMIEENEERJ-UHFFFAOYSA-N
Classification Code of Clofexamide, phenylbutazone (CAS NO.17449-96-6): Drug / Therapeutic Agent; Reproductive Effect
Toxicity Data With Reference
| 1. | orl-rat LD50:1950 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 15 (1978),41. | ||
| 2. | ipr-rat LD50:1500 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),237. | ||
| 3. | orl-mus LD50:1700 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 17 (1979),935. | ||
| 4. | ipr-mus LD50:1650 mg/kg | NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),237. | ||
| 5. | orl-rbt LD50:390 mg/kg | CHTPBA Chimica Therapeutica. 3 (1968),53. | ||
| 6. | orl-gpg LD50:720 mg/kg | CHTPBA Chimica Therapeutica. 3 (1968),53. |
Safety Profile
Poison by ingestion. Moderately toxic by intraperitoneal route. An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
Specification
Clofexamide, phenylbutazone (CAS NO.17449-96-6) is also named as Clofexamide-phenylbutazone mixt. ; Clofezon ; Clofezona ; Clofezone ; Clofezonum ; EINECS 241-466-7 ; Percluson ; Perclusone ; 2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide, compound with 4-butyl-1,2-diphenyltetrahydropyrazol-3,5-dione (1:1) ; Acetamide, 2-(p-chlorophenoxy)-N-(2-(diethylamino)ethyl)- compd. with 4-butyl-1,2-diphenyl-3,5-pyrazolidinedione (1:1) .