IUPAC Name: 8-[(Z)-4-(4-Fluorophenyl)pent-3-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Following is the structure of 1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-3-penten-1-yl]-1-phenyl- (CAS NO.357-66-4):
Empirical Formula: C24H28FN3O
Molecular Weight: 393.497
Index of Refraction: 1.623
Molar Refractivity: 114.28 cm3
Molar Volume: 323.6 cm3
Density: 1.21 g/cm3
Flash Point: 320.9 °C
Surface Tension: 52.9 dyne/cm
Enthalpy of Vaporization: 90.21 kJ/mol
Boiling Point of 1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-3-penten-1-yl]-1-phenyl- (CAS NO.357-66-4): 607 °C at 760 mmHg
Vapour Pressure of 1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-3-penten-1-yl]-1-phenyl- (CAS NO.357-66-4): 1.12E-14 mmHg at 25 °C
Canonical SMILES: CC(=CCCN1CCC2(CC1)C(=O)NCN2C3=CC=CC=C3)C4=CC=C(C=C4)F
Isomeric SMILES: C/C(=C/CCN1CCC2(CC1)C(=O)NCN2C3=CC=CC=C3)/C4=CC=C(C=C4)F
InChI: InChI=1S/C24H28FN3O/c1-19(20-9-11-21(25)12-10-20)6-5-15-27-16-13-24(14-17-27)23(29)26-18-28(24)22-7-3-2-4-8-22/h2-4,6-12H,5,13-18H2,1H3,(H,26,29)/b19-6-
InChIKey: YBPJJOQQWQASHM-SWNXQHNESA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 12mg/kg (12mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 304, 1972. |
1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-3-penten-1-yl]-1-phenyl- , its cas register number 357-66-4. It also can be called 8-[(3E)-4-(4-Fluorophenyl)pent-3-en-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one ; Espirileno ; and Spirilene .
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