B4147

Benzoylecgonine tetrahydrate

drug standard

• Empirical Formula (Hill Notation): C₁₆H₁₉NO₄ · 4 H₂O
• CAS Number: 5928-96-1
• Molecular Weight: 361.39
• UNSPSC Code: 41116107
• PubChem Substance ID: 24891755
• NACRES: NA.24

Properties

• grade: drug standard
• Quality Level: 200
• drug control: USDEA Schedule II; Home Office Schedule 2; stupéfiant (France); kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada; estupefaciente (Spain); Decreto Lei 15/93: Tabela IB (Portugal)
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• application(s): forensics and toxicology; pharmaceutical (small molecule); veterinary
• format: neat
• storage temp.: 10-30°C
• SMILES string: O.O.O.O.CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(O)=O
• InChI: 1S/C16H19NO4.H2O/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);1H2/t11-,12+,13-,14+;/m0./s1
• InChI key: FFQVHSAKNBCHHT-BHARVXRSSA-N

Description

Application

Benzoylecgonine tetrahydrate may be used as an analytical reference standard for the quantification of benzoylecgonine in biological samples[1][2] using chromatography techniques.

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Biochem/physiol Actions

Major metabolite of cocaine.

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H301
• pcodes: P264 - P270 - P301 + P310 - P405 - P501
• Hazard Classifications: Acute Tox. 3 Oral
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges