P-017

Phenobarbital-D₅ (side chain) solution

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

• Empirical Formula (Hill Notation): C₁₂D₅H₇N₂O₃
• CAS Number: 73738-05-3
• Molecular Weight: 237.27
• MDL number: MFCD00145091
• UNSPSC Code: 41116107
• PubChem Substance ID: 329820020
• 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 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.: 2-8°C
• SMILES string: [2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)c2ccccc2
• 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)/i1D3,2D2
• InChI key: DDBREPKUVSBGFI-ZBJDZAJPSA-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

• Mass spectrometry imaging standard: Phenobarbital-D5 is used in mass spectrometry imaging by desorption electrospray ionization, functioning as a critical internal standard to enhance the accuracy of spatial distribution analyses in various tissues. This application underlines its significance in pharmaceutical and biochemical research (Perez and Ifa, 2021).
• Forensic application in drug-facilitated crimes: Employed in a validated UHPLC-HRMS method, Phenobarbital-D5 is instrumental in the determination of barbiturates in hair samples, playing a vital role in the investigation of drug-facilitated sexual assaults. This demonstrates its utility as a stable isotope-labeled compound in forensic toxicology (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
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 49.5 °F - closed cup
• flash_point_c: 9.7 °C - closed cup