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| CAS No.: | 545-91-5 |
|---|---|
| Name: | phenadoxone hydrochloride |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C23H29NO2•ClH |
| Molecular Weight: | 387.95 |
| Synonyms: | 6-morpholin-4-yl-4,4-diphenylheptan-3-one,hydrochloride; |
| Melting Point: | 224-225° (some decompn) |
| Boiling Point: | 500.3°C at 760 mmHg |
| Flash Point: | 256.4°C |
| Safety: | Poison by ingestion, intravenous, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx. |
| PSA: | 29.54000 |
| LogP: | 4.80250 |
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Chemistry
IUPAC Name: 6-Morpholin-4-yl-4,4-diphenylheptan-3-one hydrochloride
Synonyms of 4,4-Diphenyl-6-morpholino-3-heptanone hydrochloride (CAS NO.545-91-5) : Hepagin ;Heptalgin ;Heptazone hydrochloride ; Phenadoxone HCl ; Supralgin ; 3-Heptanone, 4,4-diphenyl-6-morpholino-, hydrochloride ; 3-Heptanone, 6-(4-morpholinyl)-4,4-diphenyl-, hydrochloride (9CI) ; 3-Heptanone, 6-morpholino-4,4-diphenyl-, hydrochloride (8CI) ; Phenadoxone hydrochloride
CAS NO:545-91-5
Molecular Formula: C23H30ClNO2
Molecular Weight :387.942800 g/mol
Molecular Structure :.png)
EINECS: 208-895-1
Flash Point: 256.4 °C
Enthalpy of Vaporization: 76.89 kJ/mol
Boiling Point: 500.3 °C at 760 mmHg
Vapour Pressure: 3.83E-10 mmHg at 25°C
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 131mg/kg (131mg/kg) | Journal of the American Chemical Society. Vol. 71, Pg. 57, 1949. | |
| mouse | LD50 | intravenous | 48mg/kg (48mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 98, Pg. 305, 1950. | |
| mouse | LD50 | oral | 208mg/kg (208mg/kg) | Farmaco. Scienza e Tecnica. Vol. 5, Pg. 185, 1950. | |
| mouse | LD50 | subcutaneous | 110mg/kg (110mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 98, Pg. 121, 1950. |
| rat | LD50 | subcutaneous | 132mg/kg (132mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 98, Pg. 305, 1950. |
Safety Profile
Poison by ingestion, intravenous, subcutaneous, and intraperitoneal routes. When 4,4-Diphenyl-6-morpholino-3-heptanone hydrochloride (CAS NO.545-91-5) is heated to decomposition, it emits very toxic fumes of Cl− and NOx.