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C0932

Supelco

Cocaethylene

analytical standard

Synonym(s):

Ecgonine ethyl ester benzoate

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About This Item

Empirical Formula (Hill Notation):
C18H23NO4
CAS Number:
529-38-4
Molecular Weight:
317.38
MDL number:
MFCD00083171
UNSPSC Code:
41116107
PubChem Substance ID:
329774827

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

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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

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

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Certificates of Analysis (COA)

Lot/Batch Number
089K4038
038K4076
047K4024
075K4153
075K4154

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W L Hearn et al.
Journal of neurochemistry, 56(2), 698-701 (1991-02-01)
Concurrent cocaine and alcohol use is common practice in the general population, as indicated by recent prevalence studies. In the presence of ethyl alcohol, cocaine is metabolized to its ethyl homolog, cocaethylene. The transesterification of cocaine and ethanol to cocaethylene
A H Wu et al.
Journal of analytical toxicology, 16(2), 132-136 (1992-03-01)
The serum and urine from 44 consecutive patients that tested positive for the cocaine metabolite benzoylecgonine (BE) were examined for free cocaine, ecgonine methyl ester (EME), and other metabolites by gas chromatography/ion trap mass spectrometry (GC/MS). In 13 of these
Yao Lu et al.
Forensic science international, 189(1-3), 54-59 (2009-05-22)
A reliable, alternative screening method for detection of cocaine and its metabolites, benzoylecgonine and cocaethylene in urine is demonstrated using solid phase extraction (SPE) coupled with ion mobility spectrometry (IMS). Data analysis with alternating least squares (ALS) is used to
Ellen D Herbst et al.
Experimental and clinical psychopharmacology, 19(2), 95-104 (2011-04-06)
Ethanol alters the hepatic biotransformation of cocaine, resulting in transesterification to a novel active metabolite, cocaethylene. Because of first pass metabolism, oral drug administration might be expected to produce relatively larger concentrations of cocaethylene than would intravenous or smoked administration.
Xavier Joya et al.
Forensic science international, 196(1-3), 38-42 (2010-01-09)
We describe the development and validation of a method for the quantification of drugs of abuse, using gas chromatography-mass spectrometry (GC/MS), in human placenta. Concentration ranges covered were 5-500 ng/g for amphetamine, methamphetamine, MDMA, methadone, cocaine, benzoylecgonine, cocaethylene, morphine, 11-nor-9-carboxy-delta-9-tetrahydrocannabinol
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