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| | COCAETHYLENE Basic information |
| Product Name: | COCAETHYLENE | | Synonyms: | BENZOYLECGONINE ETHYL ESTER;COCAETHYLENE;ECGONINE ETHYL ESTER BENZOATE;(1r-(exo,exo))-te;[1R-(Exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylateacid;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)]-;cocaethyline | | CAS: | 529-38-4 | | MF: | C18H23NO4 | | MW: | 317.38 | | EINECS: | 637-078-6 | | Product Categories: | Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals | | Mol File: | 529-38-4.mol |  |
| | COCAETHYLENE Chemical Properties |
| Melting point | 1090C | | Boiling point | 408.8±45.0 °C(Predicted) | | density | 1.20±0.1 g/cm3(Predicted) | | Fp | 2 °C | | storage temp. | 2-8°C | | solubility | Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly) | | form | Solid | | pka | 9.04±0.60(Predicted) | | color | Whitee to Off-White | | InChI | 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 | | InChIKey | NMPOSNRHZIWLLL-XUWVNRHRSA-N | | SMILES | [C@@]12([H])N(C)[C@@]([H])(CC1)C[C@H](OC(=O)C1=CC=CC=C1)[C@@H]2C(OCC)=O | | EPA Substance Registry System | 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, (1R,2R,3S,5S)- (529-38-4) |
| | COCAETHYLENE Usage And Synthesis |
| Chemical Properties | COCAETHYLENE is Crystalline Solid | | Uses | Homolog of Cocaine. Anesthetic (local). High-affinity ligand for dopamine transporter; a metabolite of Cocaine when alcohol is concommitently abused. Controlled substance | | Uses | Homolog of Cocaine (C633500). Anesthetic (local). High-affinity ligand for dopamine transporter; a metabolite of Cocaine when alcohol is concommitently abused.
Controlled substance. | | Definition | ChEBI: Cocaethylene is a benzoate ester. |
| | COCAETHYLENE Preparation Products And Raw materials |
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