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357-66-4

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Basic Information
CAS No.: 357-66-4
Name: Spirilene
Molecular Structure:
Molecular Structure of 357-66-4 (Spirilene)
Formula: C24H28FN3O
Molecular Weight: 393.504
Synonyms: 1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-3-pentenyl]-1-phenyl- (9CI);1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4-(p-fluorophenyl)-3-pentenyl]-1-phenyl-(7CI,8CI);8-[4-(p-Fluorophenyl)-3-pentenyl]-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one;Isospirilene;R 6109;Spirilene;
Density: 1.21g/cm3
Boiling Point: 607 °Cat760mmHg
Flash Point: 320.9 °C
PSA: 35.58000
LogP: 4.37930
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Chemistry

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

Toxicity Data With Reference

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.

Specification

 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 .