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Merck
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B-008

Supelco

Benzoylecgonine-d3 solution

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

Sinónimos:

Benzoylecgonine-N-methyl-d3 solution

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About This Item

Fórmula empírica (notación de Hill):
C16D3H16NO4
Número de CAS:
115732-68-8
Peso molecular:
292.34
MDL number:
MFCD00058542
UNSPSC Code:
41116107
PubChem Substance ID:
329773095
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 methanol

technique(s)

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

application(s)

forensics and toxicology

format

single component solution

mass shift

M+3

shipped in

wet ice

storage temp.

−20°C

SMILES string

[2H]C([2H])([2H])N1[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/i1D3

InChI key

GVGYEFKIHJTNQZ-GZBWLTEMSA-N

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General description

A stable-labeled internal standard suitable for isotope dilution methods or benzoylecgonine testing in urine, saliva, blood, or hair by GC/MS or LC/MS for applications in clinical toxicology, urine drug testing, pain prescription monitoring or forensic analysis. Benzoylecgonine is the primary metabolite of cocaine and a major biomarker for determination of cocaine use.

Application


  • Metabolic profiling in forensic toxicology: Benzoylecgonine-d₃ solution is employed as an internal standard in the metabolic profiling of new psychoactive substances, enhancing the detection and quantification of β-keto-arylcyclohexylamines in both in vitro and in vivo studies, crucial for forensic applications (Xu et al., 2024).

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

signalword

Danger

Hazard Classifications

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

target_organs

Eyes,Central nervous system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

49.5 °F - closed cup

flash_point_c

9.7 °C - closed cup

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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