Product Name: Fluanisone hydrochloride (CAS NO.17160-71-3)
Molecular Formula: C21H25FN2O2•ClH
Molecular Weight: 392.94g/mol
Mol File: 17160-71-3.mol
Boiling point: 511.8 °C at 760 mmHg
Flash Point: 263.3 °C
Enthalpy of Vaporization: 78.28 kJ/mol
Vapour Pressure: 1.38E-10 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of Fluanisone hydrochloride (CAS NO.17160-71-3):
IUPAC Name: 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butan-1-one chloride
Canonical SMILES: COC1=CC=CC=C1N2CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-]
InChI: InChI=1S/C21H25FN2O2.ClH/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17;/h2-3,5,7-11H,4,6,12-16H2,1H3;1H
InChIKey: UGBLISDIHDMHJX-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 189, 1972. | |
mouse | LD50 | intravenous | 25mg/kg (25mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 189, 1972. | |
mouse | LD50 | subcutaneous | 150mg/kg (150mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 189, 1972. | |
rat | LD50 | intravenous | 20mg/kg (20mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 189, 1972. | |
rat | LD50 | subcutaneous | 420mg/kg (420mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 189, 1972. |
Poison by subcutaneous, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of HCl, NOx, and F−.
Fluanisone hydrochloride , its CAS NO. is 17160-71-3, the synonyms are Companin ; Haloanisone compositum ; Hypnorm ; Sedavic ; Solusediv ; Butyrophenone, 4'-fluoro-4-(4-(o-methoxyphenyl)-1-piperazinyl)-, hydrochloride .
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