COCAETHYLENE
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
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COCAETHYLENE Chemical Properties
- 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
- 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)
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Safety Information
- Hazard Codes
- T,Xn,F
- Risk Statements
- 25-36-20/21/22-11
- Safety Statements
- 45-36/37-16-26
- RIDADR
- UN 2811 6.1/PG 3
- WGK Germany
- 3
- RTECS
- CL5602980
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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.
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