Cocaethylene, with the CAS NO.529-38-4, is also named as 3-(benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylicaciethyles; 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, [1R-(exo,exo)]-. It is the ethyl ester of benzoylecgonine. It is structurally similar to cocaine, which is the methyl ester of benzoylecgonine. Cocaethylene is formed in vivo by the liver when cocaine and ethanol coexist in the blood.

Physical properties about Cocaethylene are: (1)ACD/LogP: 2.785; (2)ACD/LogD (pH 5.5): -0.18; (3)ACD/LogD (pH 7.4): 1.15; (4)ACD/BCF (pH 5.5): 1.00 ; (5)ACD/BCF (pH 7.4): 1.77; (6)ACD/KOC (pH 5.5): 1.00 ; (7)ACD/KOC (pH 7.4): 17.89; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 85.741 cm³; (12)Molar Volume: 264.287 cm³; (13)Polarizability: 33.99 10-24cm³; (14)Surface Tension: 47.7330017089844 dyne/cm; (15)Density: 1.201 g/cm³; (16)Flash Point: 201.046 °C; (17)Enthalpy of Vaporization: 66.09 kJ/mol; (18)Boiling Point: 408.818 °C at 760 mmHg;

When you are using this chemical, please be cautious about it as the following:
1. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
2. Wear suitable protective clothing and gloves;
3. Keep away from sources of ignition - No smoking;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13?,14?,15-,16+/m0/s1;
(2)InChIKey=NMPOSNRHZIWLLL-SSHXOBKSSA-N;
(3)SmilesC1[C@@H]2[C@H]([C@H](C[C@@H](C1)[N@@]2C)OC(c1ccccc1)=O)C(OCC)=O;

The toxicity data is as follows: