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Key Documents

Safety Information

P-019

Supelco

Phenobarbital-D5 (ring) solution

(deuterium label on ring), 1.0 mg/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:
Molecular Weight:
237.27
UNSPSC Code:
41116107
NACRES:
NA.24

grade

certified reference material

Quality Level

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

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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


  • 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

Signal Word

Danger

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 Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

49.5 °F - closed cup

Flash Point(C)

9.7 °C - closed cup


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Alcohols
Hazardous rank II

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

P-019-CC:
P-019-1ML:4548173315317


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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