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Safety Information

B4147

Supelco

Benzoylecgonine tetrahydrate

drug standard

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About This Item

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

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

Application

Benzoylecgonine tetrahydrate may be used as an analytical reference standard for the quantification of benzoylecgonine in biological samples 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.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

监管及禁止进口产品

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Certificates of Analysis (COA)

Lot/Batch Number
0000222594
0000225103
0000222601
0000225103
0000222601

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Development and validation of a liquid chromatography?mass spectrometry assay for the determination of opiates and cocaine in meconium
Pichini.S, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 794(2), 281-292 (2003)
Segmental analysis for cocaine and metabolites by HPLC in hair of suspected drug overdose cases
Clauwaert.MK, et al.
Forensic Science International, 110(3), 157-166 (2000)
Nahla A Abdelshafi et al.
Talanta, 165, 619-624 (2017-02-06)
This study focused on quantitative detection of cocaine on Euro banknotes in Germany. A sensitive direct competitive immunoassay was developed and optimized with a limit of detection (LOD) of 5.6ng/L. Exhaustive cocaine extraction by solvent was tested using different methanol

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