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Key Documents

P-017

Supelco

Phenobarbital-D5 (side chain) solution

(deuterium label on side chain), 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
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
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.

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

  • 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

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

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


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.

EU REACH Annex XVII (Restriction List)

CAS No.

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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