C0932

Cocaethylene

analytical standard

• Synonym(s): Ecgonine ethyl ester benzoate
• Empirical Formula (Hill Notation): C₁₈H₂₃NO₄
• CAS Number: 529-38-4
• Molecular Weight: 317.38
• UNSPSC Code: 41116107
• PubChem Substance ID: 329774827
• MDL number: MFCD00083171

Properties

• grade: analytical standard
• drug control: USDEA Schedule II; Home Office Schedule 2; stupéfiant (France); kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• application(s): forensics and toxicology; pharmaceutical (small molecule); veterinary
• format: neat
• SMILES string: CCOC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3
• InChI: 1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1
• InChI key: NMPOSNRHZIWLLL-XUWVNRHRSA-N

Description

Application

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

High-affinity ligand for dopamine transporter; metabolite of cocaine when alcohol is concommitently abused

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: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges