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COO/COA

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C-010

Cocaethylene solution

Name: Cocaethylene solution
Brand: CERILLIAN

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

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Pre-column holder for direct coupling of LiChroCART^™ 4-4 pre-columns with Hibar^® RT columns

grade

certified reference material

Quality Level

300

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

Signal Word

Danger

Hazard Statements

H225,H302 + H312 + H332,H319

Precautionary Statements

P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338

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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Cocaethylene formation following ethanol and cocaine administration by different routes.

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.

Gas chromatography-mass spectrometry assay for the simultaneous quantification of drugs of abuse in human placenta at 12th week of gestation.

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

Analysis of cocaine and two metabolites in dried blood spots by liquid chromatography with fluorescence detection: a novel test for cocaine and alcohol intake.

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

Detection of cocaine and its metabolites in urine using solid phase extraction-ion mobility spectrometry with alternating least squares.

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

Single hair cocaine consumption monitoring by mass spectrometric imaging.

Tiffany Porta et al.

Analytical chemistry, 83(11), 4266-4272 (2011-04-23)

Matrix-assisted laser desorption/ionization mass spectrometric imaging (MALDI-MSI) was used to image the distribution of cocaine and its metabolites in intact single hair samples from chronic users down to a concentration of 5 ng/mg. Acquisitions were performed in rastering mode, at

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