The Ethanol,2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-, 1-benzoate, with the CAS registry number 23602-78-0, is also known as N-(2-Benzoyloxyethyl)norfenfluramine. This chemical's molecular formula is C19H20F3NO2 and molecular weight is 351.36281. Its IUPAC name is called 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate. This chemical's classification codes are Anti-Obesity Agents; Antilipemic agents; Antimetabolites; Appetite depressants; Central Nervous System Agents; Drug / Therapeutic Agent.
Physical properties of Ethanol,2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-, 1-benzoate: (1)ACD/LogP: 4.80; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 3.59; (4)ACD/BCF (pH 5.5): 4.22; (5)ACD/BCF (pH 7.4): 161.09; (6)ACD/KOC (pH 5.5): 15.66; (7)ACD/KOC (pH 7.4): 597.77; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 89.57 cm3; (13)Molar Volume: 296.7 cm3; (14)Surface Tension: 35.8 dyne/cm; (15)Density: 1.183 g/cm3; (16)Flash Point: 208.1 °C; (17)Enthalpy of Vaporization: 67.43 kJ/mol; (18)Boiling Point: 420.5 °C at 760 mmHg; (19)Vapour Pressure: 2.81E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3
(3)InChIKey: CJAVTWRYCDNHSM-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 108mg/kg (108mg/kg) | "International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970. | |
mouse | LD50 | oral | 2300mg/kg (2300mg/kg) | "International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970. |
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