Basic information Safety Supplier Related

COCAETHYLENE

Basic information Safety Supplier Related

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.

COCAETHYLENESupplier

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