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E-004

Supelco

Ecgonine hydrochloride solution

1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material, Cerilliant®

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About This Item

Empirical Formula (Hill Notation):
C9H15NO3·HCl
CAS Number:
5796-31-6
Molecular Weight:
221.68
EC Number:
200-659-6
MDL number:
MFCD00069267
UNSPSC Code:
41116107
PubChem Substance ID:
329798937
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 (as free base)

technique(s)

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

application(s)

forensics and toxicology

format

single component solution

storage temp.

2-8°C

SMILES string

Cl.CN1[C@H]2CC[C@@H]1[C@H]([C@@H](O)C2)C(O)=O

InChI

1S/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5-,6+,7-,8+;/m0./s1

InChI key

HVWQTEPEBQYIFB-PXXJPSRFSA-N

General description

Ecgonine is not only a precursor of cocaine, but also a metabolite obtained by cocaine hydrolysis. This analytical reference standard is suitable for use as starting material in calibrators and controls for a variety of LC/MS or GC/MS applications in cocaine testing from forensic analysis and clinical toxicology to urine drug testing.

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®

A-034

Anhydroecgonine methyl ester solution, 1.0 mg/mL in acetonitrile, 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-008

Benzoylecgonine-d3 solution, 1.0 mg/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®

E-001

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

E-002

Ecgonine methyl ester-D3 solution, 100 μg/mL 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®

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

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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Sarah McDonald et al.
Pharmaceutical research, 20(11), 1827-1834 (2003-12-10)
Esterom Solution, an investigational pharmaceutical product, is derived from the esterification of benzoylmethylecgonine (cocaine) in 1.2 propanediol. The resulting solution contains a mixture of components. Esterom Solution is intended to be a topical analgesic to relieve pain and increase the
M D Schreiber et al.
Journal of applied physiology (Bethesda, Md. : 1985), 77(2), 834-839 (1994-08-01)
Prenatal cocaine exposure has been reported to cause neurovascular complications in the developing fetus. To determine the effect of cocaine on the fetal neurovasculature, we studied the in vitro response of fetal sheep cerebral arteries to cocaine and cocaine metabolites.
Alexander L N van Nuijs et al.
Addiction (Abingdon, England), 104(5), 734-741 (2009-04-07)
Cocaine is the second most-used illicit drug world-wide and its consumption is increasing significantly, especially in western Europe. Until now, the annual prevalence has been estimated indirectly by means of interviews. A recently introduced and direct nation-wide approach based on
D L Lister et al.
Applied and environmental microbiology, 62(1), 94-99 (1996-01-01)
A mixed culture that could utilize cocaine as the sole source of carbon and energy for growth was isolated by selective enrichment. The individual microorganisms within this mixed culture were identified as Pseudomonas fluorescens (termed MBER) and Comamonas acidovorans (termed
Matthew R Wood et al.
Acta crystallographica. Section C, Crystal structure communications, 66(Pt 1), m4-m8 (2010-01-06)
The structure of the hydrated gold(III) tetrachloride salt of L-ecgonine {hydronium tetrakis[(1R,2R,3S,5S,8S)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate pentakis[tetrachloridoaurate(III)] hexahydrate}, (C(9)H(16)NO(3))(4)(H(3)O)[AuCl(4)](5).6H(2)O, demonstrates an unprecedented stoichiometric relationship between the cations and anions in the unit cell. The previous tropane alkaloid structures, including the related hydrochloride salts, all
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