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Basic Information
CAS No.: 132810-10-7
Name: Blonanserin
Molecular Structure:
Molecular Structure of 132810-10-7 (Blonanserin)
Formula: C23H30FN3
Molecular Weight: 367.5028032
Synonyms: AD 5423;Cycloocta[b]pyridine,2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-;Lonasen;
Density: 1.095 g/cm3
Melting Point: 117-119°C
Boiling Point: 540.8 °C at 760 mmHg
Flash Point: 280.9 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 19.37000
LogP: 4.69150
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Chemistry

IUPAC Name: 2-(4-Ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine 
Following is the structure of Blonanserin (CAS NO.132810-10-7):
                      
Empirical Formula: C23H30FN3
Molecular Weight: 367.5028
Index of Refraction: 1.557
Molar Refractivity: 108.03 cm3
Molar Volume: 335.3 cm3
Density: 1.095 g/cm3
Flash Point: 280.9 °C
Polarizability: 42.82 10-24cm3
Surface Tension: 41.1 dyne/cm
Enthalpy of Vaporization: 81.86 kJ/mol
Boiling Point: 540.8 °C at 760 mmHg
Vapour Pressure of Blonanserin (CAS NO.132810-10-7): 9.21E-12 mmHg at 25 °C
Canonical SMILES: CCN1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F
InChI: InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
InChIKey: XVGOZDAJGBALKS-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #5021421,

Specification

 2-(4-Ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta(b)pyridine ; and 2-(4-Ethyl-1-piperazinyl)-4-(p-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta(b)pyridine .