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C0932

Cocaethylene

analytical standard

Synonym(s):

Ecgonine ethyl ester benzoate

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About This Item

Empirical Formula (Hill Notation):
C18H23NO4
CAS Number:
529-38-4
Molecular Weight:
317.38
UNSPSC Code:
41116107
PubChem Substance ID:
329774827
MDL number:
MFCD00083171
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grade

analytical standard

drug control

USDEA Schedule II; Home Office Schedule 2; stupéfiant (France); kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

forensics and toxicology
pharmaceutical (small molecule)
veterinary

format

neat

SMILES string

CCOC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3

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

InChI key

NMPOSNRHZIWLLL-XUWVNRHRSA-N

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Biochem/physiol Actions

High-affinity ligand for dopamine transporter; metabolite of cocaine when alcohol is concommitently abused

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number

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W L Hearn et al.
Journal of neurochemistry, 56(2), 698-701 (1991-02-01)
Concurrent cocaine and alcohol use is common practice in the general population, as indicated by recent prevalence studies. In the presence of ethyl alcohol, cocaine is metabolized to its ethyl homolog, cocaethylene. The transesterification of cocaine and ethanol to cocaethylene
A H Wu et al.
Journal of analytical toxicology, 16(2), 132-136 (1992-03-01)
The serum and urine from 44 consecutive patients that tested positive for the cocaine metabolite benzoylecgonine (BE) were examined for free cocaine, ecgonine methyl ester (EME), and other metabolites by gas chromatography/ion trap mass spectrometry (GC/MS). In 13 of these
Laura Mercolini et al.
Journal of chromatography. A, 1217(46), 7242-7248 (2010-10-12)
An original HPLC method coupled to spectrofluorimetric detection is presented for the simultaneous analysis in dried blood spots (DBS) of cocaine and two important metabolites, namely benzoylecgonine (its main metabolite) and cocaethylene (the active metabolite formed in the presence of
Ellen D Herbst et al.
Experimental and clinical psychopharmacology, 19(2), 95-104 (2011-04-06)
Ethanol alters the hepatic biotransformation of cocaine, resulting in transesterification to a novel active metabolite, cocaethylene. Because of first pass metabolism, oral drug administration might be expected to produce relatively larger concentrations of cocaethylene than would intravenous or smoked administration.
Xavier Joya et al.
Forensic science international, 196(1-3), 38-42 (2010-01-09)
We describe the development and validation of a method for the quantification of drugs of abuse, using gas chromatography-mass spectrometry (GC/MS), in human placenta. Concentration ranges covered were 5-500 ng/g for amphetamine, methamphetamine, MDMA, methadone, cocaine, benzoylecgonine, cocaethylene, morphine, 11-nor-9-carboxy-delta-9-tetrahydrocannabinol
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