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| CAS No.: | 62-68-0 |
|---|---|
| Name: | PROADIFEN HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C23H31 N O2 . Cl H |
| Molecular Weight: | 389.966 |
| Synonyms: | Benzeneaceticacid, a-phenyl-a-propyl-, 2-(diethylamino)ethylester, hydrochloride (9CI); Valeric acid, 2,2-diphenyl-, 2-(diethylamino)ethylester hydrochloride (6CI,8CI); 2-(Diethylamino)ethyl 2,2-diphenylvaleratehydrochloride; 2'-Diethylaminoethyl 2,2-diphenylpentanoate hydrochloride;Proadifen hydrochloride; RP 5171; SKF 525; SKF 525A; U 5446; b-Diethylaminoethyldiphenylpropylacetate hydrochloride |
| Melting Point: | 122-123°C |
| Boiling Point: | 460.8°C at 760 mmHg |
| Flash Point: | 132.3°C |
| Solubility: | Soluble in methanol or water |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion. Experimental reproductive effects. See also ESTERS. When heated to decomposition it emits very toxic fumes of NOx and HCl. |
| PSA: | 29.54000 |
| LogP: | 5.45980 |
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Chemistry
Empirical Formula: C23H32ClNO2
Molecular Weight: 389.9587
Flash Point: 132.3 °C
Melting point: 122-123 °C(lit.)
Storage tempreture: -20 °C
Enthalpy of Vaporization: 72.16 kJ/mol
Boiling Point: 460.8 °C at 760 mmHg
Vapour Pressure: 1.13E-08 mmHg at 25 °C
Appearance: Off-white crystalline solid
Structure of Proadifen hydrochloride (CAS NO.62-68-0):
IUPAC Name: 2-Diethylaminoethyl 2,2-diphenylpentanoate hydrochloride
Canonical SMILES: CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC.Cl
InChI: InChI=1S/C23H31NO2.ClH/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3;/h7-16H,4-6,17-19H2,1-3H3;1H
InChIKey: FHIKZROVIDCMJA-UHFFFAOYSA-N
Product Category of Proadifen hydrochloride (CAS NO.62-68-0): Inhibitors
Toxicity Data With Reference
| 1. | scu-rat TDLo:20 mg/kg (female 4D pre):REP | JSICAZ Journal of Scientific and Industrial Research, Section C: Biological Sciences. 19 (1960),264. | ||
| 2. | orl-rat LD50:2140 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,366. | ||
| 3. | ipr-rat LD50:163 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,366. | ||
| 4. | orl-mus LD50:538 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,366. | ||
| 5. | ipr-mus LD50:110 mg/kg | PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. 3 (1969),508. | ||
| 6. | scu-mus LD50:90 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 98 (1950),121. | ||
| 7. | ivn-mus LD50:60 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,366. | ||
| 8. | ivn-cat LDLo:25 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 8 (1966),118. |
Safety Profile
Poison by intraperitoneal, subcutaneous, and intravenous routes. Moderately toxic by ingestion. Experimental reproductive effects. See also ESTERS. When heated to decomposition it emits very toxic fumes of NOx and HCl.
Hazard Codes of Proadifen hydrochloride (CAS NO.62-68-0): 
Xn
Risk Statements: 22
R22:Harmful if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
Specification
Proadifen hydrochloride , its cas register number is 62-68-0. It also can be called Propyladiphenin ; Proadifen ; Benzeneacetic acid, alpha-phenyl-alpha-propyl-, 2-(diethylamino)ethyl ester hydrochloride ; mand 2-(Diethylamino)ethyl-2,2-diphenylvalerate hydrochloride .