C-009

Cocaethylene-D₃ solution

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

• Synonym(s): Benzoylecgonine ethyl ester-D₃ solution, Benzoylecgonine ethyl ester-D3 solution
• Empirical Formula (Hill Notation): C₁₈H₂₀NO₄D₃
• CAS Number: 136765-30-5
• Molecular Weight: 320.40
• UNSPSC Code: 41116107
• NACRES: NA.24

Properties

• 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 acetonitrile
• technique(s): gas chromatography (GC): suitable; liquid chromatography (LC): suitable
• application(s): forensics and toxicology
• format: single component solution
• storage temp.: −20°C
• 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/i2D3
• InChI key: NMPOSNRHZIWLLL-BMSJAHLVSA-N

Description

General description

An analog of benzoylecgonine, cocaethylene is a metabolite of cocaine formed in the presence of ethanol. This stable-labeled internal standard is suitable for quantitation of cocaethylene levels in urine, blood, and saliva by LC/MS or GC/MS for urine drug testing, clinical toxicology, forensic analysis, or isotope dilution methods.

Application

• Cocaethylene-D₃ in pharmacokinetic research: Utilized in studies examining cocaethylene formation following ethanol and cocaine administration via various routes, cocaethylene-D₃ serves as a stable isotope-labeled internal standard, crucial for accurate pharmacokinetic profiling (Herbst et al., 2011).


• Quantitative analysis in toxicology: Cocaethylene-D₃ is employed as an internal standard in GC-MS methods for the quantification of cocaine and its metabolites in biological samples, highlighting its importance in forensic and clinical toxicology studies (Fleming et al., 2010).

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,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H302 + H312 + H332,H319
• Precautionary Statements: P210 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Liq. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 35.6 °F - closed cup
• Flash Point(C): 2 °C - closed cup