P-004

Phenobarbital-D₅ (side chain) solution

(deuterium label on side chain), 100 μg/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
• EC Number: 200-659-6
• MDL number: MFCD00145091
• UNSPSC Code: 41116107
• PubChem Substance ID: 329819991
• 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: 100 μg/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

• Internal standard application strategies in mass spectrometry imaging by desorption electrospray ionization mass spectrometry: This study utilizes Phenobarbital-D5 as a stable isotope-labeled internal standard in mass spectrometry imaging, highlighting its critical role in enhancing the accuracy and reliability of quantitative measurements in complex biological samples, particularly in pharmacokinetic studies (Perez and Ifa, 2021).
• Determination of barbiturates in hair samples by using a validated UHPLC-HRMS method: This research employs Phenobarbital-D5 to calibrate and validate an ultra-high performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS) method, aimed at investigating drug-facilitated crimes. The study demonstrates the utility of deuterated standards like Phenobarbital-D5 in forensic toxicology to ensure accurate detection and quantification of drugs in forensic samples (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
• Signal Word: Danger
• Hazard Statements: H225,H301 + H311 + H331,H370
• Precautionary Statements: P210 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - 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 Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 49.5 °F - closed cup
• Flash Point(C): 9.7 °C - closed cup