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982-43-4

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Basic Information
CAS No.: 982-43-4
Name: 1-[2-[3-(2,2-diphenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine, monohydrochloride
Molecular Structure:
Molecular Structure of 982-43-4 (1-[2-[3-(2,2-diphenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine, monohydrochloride)
Formula: C23H27 N3 O . Cl H
Molecular Weight: 397.99
Synonyms: Piperidine,1-[2-[3-(2,2-diphenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]-, monohydrochloride(8CI,9CI); HK 256; Libeksin; Libexin; Lomapect; Prenoxdiazine; Tibexin
Density: g/cm3
Melting Point: 192-193°
Boiling Point: 530.3°Cat760mmHg
Flash Point: 274.5°C
Safety: Poison by intravenous route. Moderately toxic by ingestion and subcutaneous routes. Used as an antitussive agent. When heated to decomposition it emits very toxic fumes of NOx and HCl.
PSA: 42.16000
LogP: 5.21250
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Chemistry

IUPAC Name: 3-(2,2-Diphenylethyl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole hydrochloride
Synonyms of Libexin (CAS NO.982-43-4) : 1-[2-[3-(2,2-Diphenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine Hydrochloride ; 3-(b,b-Diphenylethyl)-5-(b-piperidinoethyl)-1,2,4-oxadiazole Hydrochloride ;libexin ;Lomapect ;piperidine, 1-[2-[3-(2,2-diphenylethyl)-1,2,4-oxadiazol-5-yl]ethyl]-, hydrochloride (1:1)
InChI:InChI=1/C23H27N3O.ClH/c1-4-10-19(11-5-1)21(20-12-6-2-7-13-20)18-22-24-23(27-25-22)14-17-26-15-8-3-9-16-26;/h1-2,4-7,10-13,21H,3,8-9,14-18H2;1H
CAS NO:982-43-4
Molecular Formula:C23H28ClN3O                                   
Molecular Weight :397.9409                                                     
Molecular Structure :
EINECS: 213-567-6
Flash Point: 274.5 °C 
Enthalpy of Vaporization: 80.56 kJ/mol 
Boiling Point: 530.3 °C at 760 mmHg 
Vapour Pressure: 2.49E-11 mmHg at 25°C 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 34mg/kg (34mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 617, 1966.
mouse LD50 oral 920mg/kg (920mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 617, 1966.
mouse LD50 subcutaneous 540mg/kg (540mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 691, 1973.
rat LD50 intravenous 32mg/kg (32mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 617, 1966.
rat LDLo oral > 2gm/kg (2000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 617, 1966.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion and subcutaneous routes. Used as an antitussive agent. When Libexin (CAS NO.982-43-4) is heated to decomposition, it emits very toxic fumes of NOx and HCl.