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C-010

Supelco

Cocaethylene solution

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

Sinónimos:

Benzoylecgonine ethyl ester

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About This Item

Fórmula empírica (notación de Hill):
C18H23NO4
Número de CAS:
529-38-4
Peso molecular:
317.38
Número MDL:
MFCD00871900
Código UNSPSC:
41116107
ID de la sustancia en PubChem:
329774762
NACRES:
NA.24

grado

certified reference material

Nivel de calidad

300

Formulario

liquid

Características

SNAP-N-SPIKE®, SNAP-N-SHOOT®

envase

ampule of 1 mL

fabricante / nombre comercial

Cerilliant®

drug control

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

concentración

1.0 mg/mL in acetonitrile

técnicas

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

aplicaciones

forensics and toxicology

Formato

single component solution

temp. de almacenamiento

−20°C

cadena SMILES

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

Clave InChI

NMPOSNRHZIWLLL-XUWVNRHRSA-N

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Descripción general

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.

Información legal

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

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Referencia del producto
Descripción
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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®

Pictogramas

FlameExclamation mark
GHS02,GHS07

Palabra de señalización

Danger

Clasificaciones de peligro

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

Código de clase de almacenamiento

3 - Flammable liquids

Clase de riesgo para el agua (WGK)

WGK 2

Punto de inflamabilidad (°F)

35.6 °F - closed cup

Punto de inflamabilidad (°C)

2 °C - closed cup

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Certificados de análisis (COA)

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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
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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