B-007

Benzoylecgonine solution

100 μg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant^®

• Empirical Formula (Hill Notation): C₁₆H₁₉NO₄
• CAS Number: 519-09-5
• Molecular Weight: 289.33
• NACRES: NA.24
• PubChem Substance ID: 329773094
• UNSPSC Code: 41116107
• EC Number: 200-659-6
• MDL number: MFCD00070263

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 A (Switzerland); estupefaciente (Spain); Decreto Lei 15/93: Tabela IB (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.: −20°C
• SMILES string: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(O)=O
• InChI: 1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
• InChI key: GVGYEFKIHJTNQZ-RFQIPJPRSA-N

Description

General description

Benzoylecgonine is the primary metabolite of cocaine and a major biomarker for determination of cocaine use. This certified reference standard is suitable for a variety of LC/MS or GC/MS applications from forensic analysis and clinical toxicology to urine drug testing. Benzoylecgonine is also the main pharmaceutical ingredient in the prescription drug Esterom, a topical analgesic used for the relief of muscle pain.

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
• signalword: Danger
• hcodes: H225,H301 + H311 + H331,H370
• pcodes: P210 - P260 - P280 - P301 + P310 - P311
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
• Storage Class: 3 - Flammable liquids
• wgk: WGK 1
• flash_point_f: 49.5 °F - closed cup
• flash_point_c: 9.7 °C - closed cup