B-008

Benzoylecgonine-d₃ solution

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

• Synonym(s): Benzoylecgonine-N-methyl-d₃ solution
• Empirical Formula (Hill Notation): C₁₆D₃H₁₆NO₄
• CAS Number: 115732-68-8
• Molecular Weight: 292.34
• MDL number: MFCD00058542
• UNSPSC Code: 41116107
• PubChem Substance ID: 329773095
• NACRES: NA.24

Properties

• 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: 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

Description

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

Safety Information

• Pictograms: GHS02,GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H225 - H301 + H311 + H331 - H370
• Precautionary Statements: P210 - P233 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + 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 2
• Flash Point(F): 49.5 °F - closed cup
• Flash Point(C): 9.7 °C - closed cup