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B-001

Supelco

Benzoylecgonine-d3 solution

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

Synonym(s):

Benzoylecgonine-N-methyl-d3 solution

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About This Item

Empirical Formula (Hill Notation):
C16D3H16NO4
CAS Number:
115732-68-8
Molecular Weight:
292.34
EC Number:
200-659-6
MDL number:
MFCD00058542
UNSPSC Code:
41116107
PubChem Substance ID:
329773089
NACRES:
NA.24

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

100 μg/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


  • Mass Spectrometry Internal Standard: Benzoylecgonine-d₃ is utilized as a robust internal standard in mass spectrometry to enhance the accuracy and precision of quantitative analysis of cocaine metabolites in clinical toxicology studies, providing crucial data for forensic and clinical applications (Handley et al., 2019).

  • Forensic Toxicology Research: The application of Benzoylecgonine-d₃ in gas chromatography-mass spectrometry (GC-MS) underscores its value in the forensic analysis of cocaine and its metabolites in biological samples, offering reliable quantification essential for legal and medical investigations (Fleming et al., 2010).

  • LC-MS/MS Quantitative Analysis: Benzoylecgonine-d₃ serves as a critical component in developing validated LC-MS/MS methodologies for drug testing, ensuring the traceability and reproducibility required in doping control and therapeutic drug monitoring (Lin et al., 2001).

  • Pharmacokinetic Studies: The use of stable isotope-labeled Benzoylecgonine-d₃ enables detailed pharmacokinetic studies, helping to understand the metabolism of cocaine and assess the impact of various physiological and pathological conditions on drug metabolism (Lin et al., 2001).

  • Drug Metabolism Analysis: In forensic science, Benzoylecgonine-d₃ is crucial for developing sensitive and selective analytical methods for detecting and quantifying cocaine use, supporting both clinical diagnostics and legal proceedings (Hall et al., 1999).


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

B-004

Benzoylecgonine solution, 1.0 mg/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-009

Cocaethylene-D3 solution, 100 μg/mL in acetonitrile, ampule of 1 mL, certified reference material, Cerilliant®

C-010

Cocaethylene solution, 1.0 mg/mL in acetonitrile, 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®

Signal Word

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

WGK

WGK 2

Flash Point(F)

49.5 °F

Flash Point(C)

9.7 °C

Regulatory Information

胰岛素激素类产品
危险化学品

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