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Troparil

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Name

Troparil

EINECS N/A
CAS No. 74163-84-1 Density 1.099g/cm3
PSA 29.54000 LogP 2.36380
Solubility N/A Melting Point N/A
Formula C16H21 N O2 Boiling Point 350.2°C at 760 mmHg
Molecular Weight 259.348 Flash Point 121.3°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 74163-84-1 (Troparil) Hazard Symbols N/A
Synonyms

8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 8-methyl-3-phenyl-, methyl ester, (exo,exo)-;(?à)-WIN 35065;Troparil;Win 35065;

Article Data 3

Troparil Specification

Troparil(also known as (–)-2β-Carbomethoxy-3β-phenyltropane, WIN 35,065-2, or β-CPT) is a stimulant drug used in scientific research. With the CAS NO.74163-84-1, Troparil is a phenyltropane based dopamine reuptake inhibitor (DRI) and is derived from methylecgonidine. The most commonly used form of troparil is the tartrate salt, but the hydrochloride and naphthalenedisulfonate salts are also available, as well as the free base.

Physical properties about Troparil are: (1)ACD/LogP: 1.564; (2)ACD/LogD (pH 5.5): -1.52; (3)ACD/LogD (pH 7.4): -0.88; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5):1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.54; (11)Molar Refractivity: 74.004 cm3; (12)Molar Volume: 235.801 cm3; (13)Polarizability: 29.337 10-24cm3; (14)Surface Tension: 38.9329986572266 dyne/cm; (15)Density: 1.1 g/cm3; (16)Flash Point: 121.251 °C; (17)Enthalpy of Vaporization: 59.478 kJ/mol; (18)Boiling Point: 350.203 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3;
(2)InChIKey=OMBOXYLBBHNWHL-UHFFFAOYSA-N;
(3)Smilesc1([C@@H]2[C@@H]([C@@H]3[N@@](C)[C@@H](C2)CC3)C(OC)=O)ccccc1

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 185mg/kg (185mg/kg)   Farmakologiya i Toksikologiya Vol. 48(1), Pg. 15, 1985.
mouse LD50 intravenous 50mg/kg (50mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Russian Pharmacology and Toxicology Vol. 48, Pg. 26, 1985.

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