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| CAS No.: | 74163-84-1 |
|---|---|
| Name: | Troparil |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C16H21 N O2 |
| Molecular Weight: | 259.348 |
| Synonyms: | 8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 8-methyl-3-phenyl-, methyl ester, (exo,exo)-;(?à)-WIN 35065;Troparil;Win 35065; |
| Density: | 1.099g/cm3 |
| Boiling Point: | 350.2°C at 760 mmHg |
| Flash Point: | 121.3°C |
| PSA: | 29.54000 |
| LogP: | 2.36380 |
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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. |