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B-007

Benzoylecgonine solution

Name: Benzoylecgonine solution
Brand: CERILLIAN

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

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About This Item

Empirical Formula (Hill Notation):

C₁₆H₁₉NO₄

CAS Number:

519-09-5

Molecular Weight:

289.33

EC Number:

200-659-6

MDL number:

MFCD00070263

UNSPSC Code:

41116107

PubChem Substance ID:

329773094

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

100 μg/mL in methanol

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@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(O)=O

InChI

1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1

InChI key

GVGYEFKIHJTNQZ-RFQIPJPRSA-N

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General description

Benzoylecgonine is the primary metabolite of cocaine and a major biomarker for determination of cocaine use. This certified reference standard is suitable for a variety of LC/MS or GC/MS applications from forensic analysis and clinical toxicology to urine drug testing. Benzoylecgonine is also the main pharmaceutical ingredient in the prescription drug Esterom, a topical analgesic used for the relief of muscle pain.

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,H301 + H311 + H331,H370

Precautionary Statements

P210 - P260 - P280 - P301 + P310 - P311

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

49.5 °F - closed cup

Flash Point(C)

9.7 °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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Evaluation of uncertainties associated with the determination of community drug use through the measurement of sewage drug biomarkers.

Sara Castiglioni et al.

Environmental science & technology, 47(3), 1452-1460 (2012-12-25)

The aim of this study was to integrally address the uncertainty associated with all the steps used to estimate community drug consumption through the chemical analysis of sewage biomarkers of illicit drugs. Uncertainty has been evaluated for sampling, chemical analysis

Dilute and shoot: analysis of drugs of abuse using selected reaction monitoring for quantification and full scan product ion spectra for identification.

Robert L Fitzgerald et al.

Journal of analytical toxicology, 36(2), 106-111 (2012-02-18)

Our objective was to develop a "dilute and shoot" liquid chromatography-tandem mass spectrometry confirmatory procedure that uses full scan product ion spectra to identify drugs that are present above cutoff values as determined by isotope dilution relative to a deuterium-labeled

Investigation of degradation products of cocaine and benzoylecgonine in the aquatic environment.

Lubertus Bijlsma et al.

The Science of the total environment, 443, 200-208 (2012-11-29)

In this work, ultra-high-performance liquid chromatography (UHPLC) coupled to a hybrid quadrupole time-of-flight mass spectrometer (QTOF MS) has allowed the discovery and elucidation of degradation products of cocaine and its main metabolite benzoylecgonine (BE) in water. Spiked surface water was

Development and validation of two LC-MS/MS methods for the detection and quantification of amphetamines, designer amphetamines, benzoylecgonine, benzodiazepines, opiates, and opioids in urine using turbulent flow chromatography.

Nadine Schaefer et al.

Analytical and bioanalytical chemistry, 405(1), 247-258 (2012-10-19)

In the context of driving ability diagnostics in Germany, administrative cutoffs for various drugs and pharmaceuticals in urine have been established. Two liquid chromatography-tandem mass spectrometry methods for simultaneous detection and quantification of amphetamines, designer amphetamines, benzoylecgonine, benzodiazepines, opiates, and

Temporal analysis of the cocaine metabolite benzoylecgonine in wastewater to estimate community drug use.

Juliet Kinyua et al.

Journal of forensic sciences, 57(5), 1349-1353 (2012-04-19)

Indirect estimation methods of cocaine consumption may not reflect the real extent of cocaine use. Another approach is sewage epidemiology. This direct approach is based on analysis of a stable cocaine metabolite, benzoylecgonine (BE), in wastewater. Influent to the Lubbock

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