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| CAS No.: | 2053-25-0 |
|---|---|
| Name: | ETONITAZENE HYDROCHLORIDE--DEA SCHEDULE I ITEM |
| Molecular Structure: | |
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| Formula: | C22H28 N4 O3 . Cl H |
| Molecular Weight: | 433.00 |
| Synonyms: | 1H-Benzimidazole-1-ethanamine,2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-5-nitro-, monohydrochloride (9CI);Benzimidazole, 1-[2-(diethylamino)ethyl]-2-(p-ethoxybenzyl)-5-nitro-,hydrochloride (6CI,8CI);C 20684;Etonitazene hydrochloride; |
| Density: | g/cm3 |
| Melting Point: | 162-163 °C |
| Boiling Point: | 580.7°Cat760mmHg |
| Flash Point: | 305°C |
| Safety: | Poison by parenteral route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl. |
| PSA: | 76.11000 |
| LogP: | 5.60100 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
Etonitazene hydrochloride, with the CAS NO.2053-25-0, is also known as 1-(2-Diethylaminoethyl)-2-(p-ethoxybenzyl)-5-
nitrobenzimidazole hydrochloride; C 20684; Benzimidazole, 1-(2-diethylaminoethyl)-2-(p-ethoxybenzyl)-5-nitro-, hydrochloride. It has the Molecular Formula of C22H29ClN4O3 and Molecular Weight of 432.94366
Physical properties about Etonitazene hydrochloride are: (1)ACD/LogP: 5.159; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.80; (5)ACD/BCF (pH 5.5): 4.08 ; (6)ACD/BCF (pH 7.4): 21.30; (7)ACD/KOC (pH 5.5): 12.70; (8)ACD/KOC (pH 7.4): 66.25; (9)#H bond acceptors: 7; (10)#Freely Rotating Bonds: 10; (11)Flash Point: 305 °C; (12)Enthalpy of Vaporization: 86.85 kJ/mol; (13)Boiling Point: 580.7 °C at 760 mmHg; (14)Vapour Pressure: 1.78E-13 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)InChI=1S/C22H28N4O3.ClH/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3;/h7-12,16H,4-6,13-15H2,1-3H3;1H;
(2)InChIKey=JTBRYBUIGVMMQL-UHFFFAOYSA-N;
(3)SmilesCC[NH+](CC)CCn1c2ccc(cc2nc1Cc3ccc(cc3)OCC)[N+](=O)[O-].[Cl-];
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | parenteral | 126mg/kg (126mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Medicinal Chemistry. Vol. 11, Pg. 889, 1968. |