T-116

Thebaine solution

1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant^®

• Empirical Formula (Hill Notation): C₁₉H₂₁NO₃
• CAS Number: 115-37-7
• Molecular Weight: 311.37
• MDL number: MFCD00027409
• UNSPSC Code: 41116107
• PubChem Substance ID: 329826658
• NACRES: NA.24

Properties

• 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: estupefaciente (Spain); Decreto Lei 15/93: Tabela IA (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: CN1[C@H](C2)C3=CC=C(OC)[C@H]4[C@]3(CC1)C5=C2C=CC(OC)=C5O4
• InChI: 1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
• InChI key: FQXXSQDCDRQNQE-VMDGZTHMSA-N

Description

General description

Thebaine is a natural constituent of opium that is chemically similar to both morphine and codeine, but exerts stimulatory rather than depressant effects. Analysis of thebaine maybe performed to rule-out or confirm a false morphine positive. This Certified Snap-N-Spike^® Solution is applicable for use as starting material in calibrators or controls for a variety of LC/MS or GC/MS testing applications from forensic analysis and clinical toxicology to urine drug testing.

Application

• Unearthed opium analytical method: Vincenti et al. (2023) developed a UHPLC-MS/MS method to detect alkaloids in Papaver somniferum, which includes thebaine, from archaeological findings, demonstrating its historical medicinal use (Vincenti et al., 2023).

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 2
• Flash Point(F): 49.5 °F
• Flash Point(C): 9.7 °C