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P-004

Supelco

Phenobarbital-D5 (side chain) solution

(deuterium label on side chain), 100 μg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

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About This Item

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

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

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

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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

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P-017

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signalword

Danger

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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