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Clofexamide, phenylbutazone

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Name

Clofexamide, phenylbutazone

EINECS N/A
CAS No. 17449-96-6 Density g/cm3
PSA 85.68000 LogP 6.93490
Solubility N/A Melting Point N/A
Formula C14H21ClN2O2•C19H20N2O2 Boiling Point 424.9°Cat760mmHg
Molecular Weight 593.166 Flash Point 174.3°C
Transport Information N/A Appearance N/A
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. Risk Codes N/A
Molecular Structure Molecular Structure of 17449-96-6 (2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide, compound with 4-butyl-1,2-diphenyltetrahydropyrazol-3,5-dione (1:1)) Hazard Symbols N/A
Synonyms

Clofezon;Clofexamide-phenylbutazone mixt;Perclusone;Clofexamide,phenylbutazone;Percluson;EINECS 241-466-7;

 

Clofexamide, phenylbutazone Chemical Properties

Molecule structure of Clofexamide, phenylbutazone (CAS NO.17449-96-6):

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 

Clofexamide, phenylbutazone 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.

Clofexamide, phenylbutazone 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.

Clofexamide, phenylbutazone 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) .

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