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C-010

Supelco

Cocaethylene solution

1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material, Cerilliant®

Synonym(s):

Benzoylecgonine ethyl ester

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About This Item

Empirical Formula (Hill Notation):
C18H23NO4
CAS Number:
529-38-4
Molecular Weight:
317.38
MDL number:
MFCD00871900
UNSPSC Code:
41116107
PubChem Substance ID:
329774762
NACRES:
NA.24

grade

certified reference material

form

liquid

feature

SNAP-N-SPIKE®, SNAP-N-SHOOT®

packaging

ampule of 1 mL

manufacturer/tradename

Cerilliant®

drug control

Narcotic Licence Schedule A (Switzerland); estupefaciente (Spain); Decreto Lei 15/93: Tabela IB (Portugal)

concentration

1.0 mg/mL in acetonitrile

technique(s)

gas chromatography (GC): suitable
liquid chromatography (LC): suitable

application(s)

forensics and toxicology

format

single component solution

storage temp.

−20°C

SMILES string

CN1[C@@]2([H])[C@@H](C(OCC)=O)[C@@H](OC(C3=CC=CC=C3)=O)C[C@]1([H])CC2

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

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General description

A certified Snap-N-Spike® solution suitable for use as starting material in calibrators and controls for GC/MS or LC/MS methods in clinical toxicology, forensic analysis, or urine drug testing. Cocaethylene is the ethyl ester of benzoylecgonine. This benzoylecgonine analog is formed during cocaine metabolism when ethanol is present.

Application


  • Innovative forensic detection methods: Development of a new analytical method using magnetic nanoparticles for the detection of cocaine, its antidepressants, and metabolites in postmortem blood highlights advances in forensic toxicology. This method, including the analysis of cocaethylene, improves the accuracy and efficiency of drug testing in forensic investigations (de Souza Schwarz et al., 2024).

  • Quantitative wastewater analysis for public health: This research involves quantitative analysis of wastewater to monitor drugs of abuse, including cocaine and its potent metabolite cocaethylene. It serves as an essential method for understanding public health trends and the effectiveness of drug use interventions within communities (Frankenfeld et al., 2023).

Legal Information

CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany
Snap-N-Shoot is a registered trademark of Cerilliant Corporation
Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany

related product

Product No.
Description
Pricing

B-004

Benzoylecgonine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

B-001

Benzoylecgonine-d3 solution, 100 μg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

B-007

Benzoylecgonine solution, 100 μg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

B-008

Benzoylecgonine-d3 solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

B-013

Benzoylecgonine-D8 solution, 100 μg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

B-014

Benzoylecgonine-D8 solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

C-024

Cocaethylene-D8 solution, 100 μg/mL in acetonitrile, ampule of 1 mL, certified reference material, Cerilliant®

C-088

Cocaine Multi-component Mixture solution, 250 μg/mL each component in acetonitrile, ampule of 1 mL, certified reference material, Cerilliant®

H-017

m-Hydroxybenzoylecgonine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

H-135

p-Hydroxycocaine hydrochloride solution, 1 mg/mL in acetonitrile (as free base), certified reference material, ampule of 1 mL, Cerilliant®

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

35.6 °F - closed cup

Flash Point(C)

2 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Yao Lu et al.
Forensic science international, 189(1-3), 54-59 (2009-05-22)
A reliable, alternative screening method for detection of cocaine and its metabolites, benzoylecgonine and cocaethylene in urine is demonstrated using solid phase extraction (SPE) coupled with ion mobility spectrometry (IMS). Data analysis with alternating least squares (ALS) is used to
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
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
Robert B Parker et al.
Drug metabolism and disposition: the biological fate of chemicals, 38(2), 317-322 (2009-11-19)
Ethanol decreases the clearance of cocaine by inhibiting the hydrolysis of cocaine to benzoylecgonine and ecgonine methyl ester by carboxylesterases, and there is a large body of literature describing this interaction as it relates to the abuse of cocaine. In
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