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Basic Information
CAS No.: 81226-60-0
Name: L 741626
Molecular Structure:
Molecular Structure of 81226-60-0 (L 741626)
Formula: C20H21ClN2O
Molecular Weight: 340.853
Synonyms: 4-Piperidinol,4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl);4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol;3-(4-(4-Chlorophenyl-4-hydroxypiperidino)methyl)indole;1-(indol-3-ylmethyl)-4-hydroxy-4-(p-chlorophenyl)piperidine;L 741,626;
Density: 1.311g/cm3
Boiling Point: 548.8°C at 760 mmHg
Flash Point: 285.7°C
Hazard Symbols: A poison.
Safety: A poison by intravenous and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx and Cl−.
PSA: 39.26000
LogP: 4.24280
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Chemistry

The Molecular Structure of 4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol (CAS NO.81226-60-0):

Molecular Formula: C20H21ClN2O
Molecular Weight: 340.846540 g/mol
Index of Refraction: 1.686
Molar Refractivity: 98.9 cm3
Molar Volume: 259.8 cm3
Surface Tension: 62.8 dyne/cm
Density: 1.311 g/cm3
Flash Point: 285.7 °C
Enthalpy of Vaporization: 87.19 kJ/mol
Boiling Point: 548.8 °C at 760 mmHg
Vapour Pressure: 7.04E-13 mmHg at 25°C 
InChI
InChI=1/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
Smiles
N1(CCC(CC1)(O)c1ccc(cc1)Cl)Cc1c[nH]c2ccccc12
The IUPAC of 4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol (CAS NO.81226-60-0) is 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol .

Toxicity Data With Reference

1.    

scu-mus TDLo:5.6 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 293 (2000),1063.
2.    

ivn-rat TDLo:63 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 293 (2000),1048.
3.    

scu-rat TDLo:0.63 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 293 (2000),1048.
4.    

scu-rat TDLo:7 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 293 (2000),1063.
5.    

scu-rat TDLo:8.1 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 293 (2000),1063.

Safety Profile

A poison by intravenous and subcutaneous routes. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Specification

 4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol (CAS NO.81226-60-0) is also called as L 741626 ; 3-(4-(4-Chlorophenyl-4-hydroxypiperidino)methyl)indole ; L 741,626 ; L-741,626 ; L-741626 ; 4-Piperidinol, 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)- .