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Merck
CN

C-010

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

Key Documents

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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)
kontrollierte Droge in Deutschland

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.

Legal Information

German
Dieses Produkt fällt unter das Betäubungsmittelgesetz (BtMG). Für eine Bestellung dieses Produktes ist eine Erlaubnis nach § 3 BtMG zwingend erforderlich, es sei denn, es greift eine Ausnahme von der Erlaubnispflicht nach § 4 oder § 26 BtMG.

English
This product is subject to the German Narcotics Act. A permit under Section 3 of the German Narcotics Act is mandatory for ordering this product unless an exemption from the permit requirement under Section 4 or Section 26 of the German Narcotics Act applies.
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

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

Regulatory Information

监管及禁止进口产品
This item has

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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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
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.
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
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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