Basic information
- Name:
Blonanserin
- CAS No.:
132810-10-7
- Molecular Structure:
- 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
- Boiling Point:
- 540.8 °C at 760 mmHg
- Flash Point:
- 280.9 °C
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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 .