Cocaethylene
Synonym(s):Benzoylecgonine ethyl ester
- CAS NO.：529-38-4
- Empirical Formula: C18H23NO4
- Molecular Weight: 317.38
- MDL number: MFCD00871900
- EINECS: 637-078-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-09-12 18:52:10
What is Cocaethylene?
Chemical properties
COCAETHYLENE is Crystalline Solid
The Uses of Cocaethylene
Homolog of Cocaine (C633500). Anesthetic (local). High-affinity ligand for dopamine transporter; a metabolite of Cocaine when alcohol is concommitently abused. Controlled substance.
The Uses of Cocaethylene
Homolog of Cocaine. 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.
Properties of Cocaethylene
| Melting point: | 1090C |
| Boiling point: | 408.8±45.0 °C(Predicted) |
| Density | 1.20±0.1 g/cm3(Predicted) |
| Flash point: | 2 °C |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly) |
| pka | 9.04±0.60(Predicted) |
| form | Solid |
| 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 |
| 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) |
Safety information for Cocaethylene
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Cocaethylene
| 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 |
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