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B-008

Supelco

Benzoylecgonine-d3 solution

1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

Synonym(s):

Benzoylecgonine-N-methyl-d3 solution

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About This Item

Empirical Formula (Hill Notation):
C16D3H16NO4
CAS Number:
115732-68-8
Molecular Weight:
292.34
MDL number:
MFCD00058542
UNSPSC Code:
41116107
PubChem Substance ID:
329773095
NACRES:
NA.24

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

1.0 mg/mL in methanol

technique(s)

gas chromatography (GC): suitable
liquid chromatography (LC): suitable

application(s)

forensics and toxicology

format

single component solution

mass shift

M+3

shipped in

wet ice

storage temp.

−20°C

SMILES string

[2H]C([2H])([2H])N1[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/i1D3

InChI key

GVGYEFKIHJTNQZ-GZBWLTEMSA-N

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General description

A stable-labeled internal standard suitable for isotope dilution methods or benzoylecgonine testing in urine, saliva, blood, or hair by GC/MS or LC/MS for applications in clinical toxicology, urine drug testing, pain prescription monitoring or forensic analysis. Benzoylecgonine is the primary metabolite of cocaine and a major biomarker for determination of cocaine use.

Application


  • Metabolic profiling in forensic toxicology: Benzoylecgonine-d₃ solution is employed as an internal standard in the metabolic profiling of new psychoactive substances, enhancing the detection and quantification of β-keto-arylcyclohexylamines in both in vitro and in vivo studies, crucial for forensic applications (Xu et al., 2024).

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

related product

Product No.
Description
Pricing

B-004

Benzoylecgonine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

B-001

Benzoylecgonine-d3 solution, 100 μg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

B-007

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

B-013

Benzoylecgonine-D8 solution, 100 μg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

B-014

Benzoylecgonine-D8 solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

C-009

Cocaethylene-D3 solution, 100 μg/mL in acetonitrile, ampule of 1 mL, certified reference material, Cerilliant®

C-010

Cocaethylene solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material, Cerilliant®

C-024

Cocaethylene-D8 solution, 100 μg/mL in acetonitrile, ampule of 1 mL, certified reference material, Cerilliant®

C-088

Cocaine Multi-component Mixture solution, 250 μg/mL each component in acetonitrile, ampule of 1 mL, certified reference material, Cerilliant®

H-017

m-Hydroxybenzoylecgonine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

H-135

p-Hydroxycocaine hydrochloride solution, 1 mg/mL in acetonitrile (as free base), certified reference material, ampule of 1 mL, Cerilliant®

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

Target Organs

Eyes,Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

49.5 °F - closed cup

Flash Point(C)

9.7 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Oruc Allahverdiyev et al.
Turkish journal of medical sciences, 45(6), 1380-1389 (2016-01-19)
Treating animals repeatedly with intermittent and increasing morphine doses has been suggested to allow some withdrawal during each dosing interval, which causes repeated stress. The present study aimed to test this hypothesis and assess sex-related differences in withdrawal signs and
James Brian McAlvin et al.
Investigative ophthalmology & visual science, 56(6), 3820-3826 (2015-06-13)
Amino-amide or amino-ester local anesthetics, which are currently used for topical ocular anesthesia, are short acting and may delay corneal healing with long-term use. In contrast, site 1 sodium channel blockers (S1SCBs) are potent local anesthetics with minimal adverse tissue
Yanyan Qiu et al.
Scientific reports, 4, 6605-6605 (2014-10-14)
This study examined whether a novel imidazoline I₂ receptor ligand CR4056 could serve as a discriminative stimulus and whether it shares similar discriminative stimulus effects with other reported I₂ receptor ligands. Eight male Sprague-Dawley rats were trained to discriminate 10.0 mg/kg
Paula E Park et al.
Addiction biology, 20(2), 275-284 (2013-12-18)
Opioids represent effective drugs for the relief of pain, yet chronic opioid use often leads to a state of increased sensitivity to pain that is exacerbated during withdrawal. A sensitization of pain-related negative affect has been hypothesized to closely interact
Kalpashri Kesavan et al.
Respiratory physiology & neurobiology, 201, 93-100 (2014-07-11)
Sedative-analgesics are often given to newborn infants and are known to affect many components of the autonomic nervous system. While morphine is most frequently used, α-2 adrenergic receptor agonists are being increasingly used in this population. Alpha-2 adrenergic receptors agonists
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