P-019

Phenobarbital-D₅ (ring) solution

(deuterium label on ring), 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant^®

• Empirical Formula (Hill Notation): C₁₂D₅H₇N₂O₃
• CAS Number: 72793-46-5
• Molecular Weight: 237.27
• UNSPSC Code: 41116107
• 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 B (Switzerland); psicótropo (Spain); Decreto Lei 15/93: Tabela IV (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
• storage temp.: −20°C
• SMILES string: [2H]c1c([2H])c([2H])c(c([2H])c1[2H])C2(CC)C(=O)NC(=O)NC2=O
• InChI: 1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)/i3D,4D,5D,6D,7D
• InChI key: DDBREPKUVSBGFI-DKFMXDSJSA-N

Description

General description

An internal standard suitable for quantitation of phenobarbital levels in GC/MS or LC/MS applications for clinical toxicology, urine drug testing, or forensic analysis. Phenobarbital is a barbiturate used to treat all epileptic seizure types except for absence seizures. Phenobarbital is the oldest and most widely used anticonvulsant.

Application

• Rapid quantification of phenobarbital and barbital in human whole blood by liquid-liquid extraction combined with DART-orbitrap-HRMS: This study presents a method using Phenobarbital-D5 as an internal standard for the rapid quantification of barbiturates in blood samples, crucial for forensic toxicology and drug metabolism studies. The approach enhances the precision of mass spectrometry analyses, making it essential for researchers employing high-resolution mass spectrometry in pharmacokinetic analyses (Ke et al., 2023).


• Internal standard application strategies in mass spectrometry imaging by desorption electrospray ionization mass spectrometry: This research outlines strategic uses of Phenobarbital-D5 as an internal standard in mass spectrometry imaging, particularly desorption electrospray ionization mass spectrometry (DESI-MS). It underscores the compound′s utility in enhancing the accuracy of spatially-resolved mass spectrometry, pivotal for biochemical and pharmacological research (Perez, Ifa, 2021).


• Determination of barbiturates in hair samples by using a validated UHPLC-HRMS method: application in investigation of drug-facilitated sexual assault: This publication highlights the application of Phenobarbital-D5 in ultra-high performance liquid chromatography coupled with high-resolution mass spectrometry (UHPLC-HRMS) for analyzing barbiturates in hair samples. The method provides crucial insights into drug metabolism and facilitates the investigation of drug-facilitated crimes, serving as a reliable analytical reference standard in forensic science (Wen et al., 2022).

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
• signalword: Danger
• hcodes: H225,H301 + H311 + H331,H370
• pcodes: 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
• 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