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BENZOYLECGONINE

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BENZOYLECGONINE Basic information

Product Name:
BENZOYLECGONINE
Synonyms:
  • 1alphaH,5alphaH-Tropane-2beta-carboxylic acid, 3beta-hydroxy-, benzoate (ester)
  • 3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, [1R-(exo,exo)]-
  • Benzoylecogonine
  • Ecgonine benzoate
  • o-Benzoyl-(-)-ecgonine
  • benzoylecgonine hydrate--dea schedule*ii item
CAS:
519-09-5
MF:
C16H19NO4
MW:
289.33
EINECS:
208-263-5
Product Categories:
  • Intermediates & Fine Chemicals
  • Metabolites & Impurities
  • Pharmaceuticals
  • AlkaloidsAlphabetic
  • BA - BHDrugs of Abuse
  • Drugs of Abuse
  • EcgoninenForensic and Veterinary Standards
  • Neat Compounds
  • B
  • Chemical Structure
  • Drugs&Metabolites
  • Solutions
  • Aromatics
Mol File:
519-09-5.mol
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BENZOYLECGONINE Chemical Properties

Melting point:
1950C (dec)
Boiling point:
431.49°C (rough estimate)
Density 
1.1267 (rough estimate)
refractive index 
1.5500 (estimate)
Flash point:
11 °C
storage temp. 
2-8°C
solubility 
DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 3 mg/ml
form 
A neat solid
pka
pKa 11.80 (Uncertain)
CAS DataBase Reference
519-09-5
EPA Substance Registry System
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)- (519-09-5)
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Safety Information

Hazard Codes 
F,T
Risk Statements 
11-23/24/25-39/23/24/25-25
Safety Statements 
16-36/37-45-7
RIDADR 
UN 1230 3/PG 2
WGK Germany 
1
HazardClass 
6.1(a)
PackingGroup 
II

MSDS

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BENZOYLECGONINE Usage And Synthesis

Chemical Properties

Crystalline Solid

Uses

A metabolite of Cocaine. Controlled substance

Definition

ChEBI: A benzoate ester metabolite of cocaine formed by hydrolysis of the methyl ester group, catalysed by carboxylesterases.

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