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HomeProduct name listCOCAETHYLENE

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: 2023-08-25 10:29:10
COCAETHYLENE Structural

What is COCAETHYLENE?

Chemical properties

COCAETHYLENE is Crystalline Solid

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

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.

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)
ghs
Flame
Flammables
GHS02
ghs
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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