Cocaethylene

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Systematic / IUPAC Name: Ethyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

ID: Reference675

Other Names: Ethylcocaine;
Ethyl benzoylecgonine;
Cocaethyline;
Benzoylethylecgonin;
Ecgonine ethyl ester benzoate ; more

Formula: C18H23NO4

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Cocaethylene mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/19/2015 12:39:59 PM
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Identificators

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
InChI Key NMPOSNRHZIWLLL-XUWVNRHRSA-N
Canonical SMILES CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3
CAS 529384
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Other Names Ethylcocaine;
Ethyl benzoylecgonine;
Cocaethyline;
Benzoylethylecgonin;
Ecgonine ethyl ester benzoate;
Cocaethylin;
O-Benzoyl-L-ecgonine ethyl ester;
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, [1R-(exo,exo)]-;
[1R-(Exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid ethyl ester;
Homococaine;
Homocaine

In Other Databases

Wikipedia Cocaethylene
PubChem 644006
ChemSpider 59082