ECGONINE METHYL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H17NO3
Molecular Weight	199.2469
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C

InChI

InChIKey=QIQNNBXHAYSQRY-UYXSQOIJSA-N

InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H17NO3
Molecular Weight	199.2469
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Quantification of drugs of abuse in municipal wastewater via SPE and direct injection liquid chromatography mass spectrometry.	2010-11	20865408
Urinary excretion of ecgonine and five other cocaine metabolites following controlled oral, intravenous, intranasal, and smoked administration of cocaine.	2010-03	20223096
The hydrated and anhydrous gold(III) tetrachloride salts of L-ecgonine, an important forensic toxicology marker for cocaine.	2010-01	20048413
Can cocaine use be evaluated through analysis of wastewater? A nation-wide approach conducted in Belgium.	2009-05	19344443
Using molecular similarity to highlight the challenges of routine immunoassay-based drug of abuse/toxicology screening in emergency medicine.	2009-04-28	19400959
An automated SPE/LC/MS/MS method for the analysis of cocaine and metabolites in whole blood.	2008-10-15	18829399
Alpha2-containing GABA(A) receptors are involved in mediating stimulant effects of cocaine.	2008-07	18358520
Identification of metabolites with anticancer properties by computational metabolomics.	2008-06-17	18559081
Application of discriminant analysis to differentiate between incorporation of cocaine and its congeners into hair and contamination.	2008-03-21	18063333
Tropane alkaloids as medicinally useful natural products and their synthetic derivatives as new drugs.	2008-02-03	18799813
Abstracts of papers presented at the 2008 pittsburgh conference.	2008	19365566
Cocaine and metabolites urinary excretion after controlled smoked administration.	2007-10	17988460
Bioanalytical procedures for determination of drugs of abuse in blood.	2007-08	17468860
Cocaine profiling for strategic intelligence purposes, a cross-border project between France and Switzerland. Part I. Optimisation and harmonisation of the profiling method.	2007-04-11	16876353
Rapid analysis of benzoylecgonine in urine by fast gas chromatography-mass spectrometry.	2006-10	17132251
Relationships between concentrations of cocaine and its hydrolysates in peripheral blood, heart blood, vitreous humor and urine.	2006-03	16566784
Simultaneous analyses of cocaine, cocaethylene, and their possible metabolic and pyrolytic products.	2006-02-10	16428007
Concentration profiles of cocaine, pyrolytic methyl ecgonidine and thirteen metabolites in human blood and urine: determination by gas chromatography-mass spectrometry.	2005-11	15841503
Gender differences in cocaine pharmacokinetics in CF-1 mice.	2005-01-15	15585357
Determination of cocaine, its metabolites, pyrolysis products, and ethanol adducts in postmortem fluids and tissues using Zymark automated solid-phase extraction and gas chromatography-mass spectrometry.	2004-07-05	15171923
Three-dimensional quantitative structure-activity relationship modeling of cocaine binding by a novel human monoclonal antibody.	2004-01-01	14695827
Determination of the dermal penetration of esterom components using microdialysis sampling.	2003-11	14661928
Determination of the highest no-effect dose (HNED) and of the elimination pattern for cocaine in horses.	2002-03-29	11920936
Synthesis and dopamine transporter binding of 2beta-isopropyl ester analogs of cocaine.	2002-02	11858849
2'-substituted analogs of cocaine: synthesis and dopamine transporter binding potencies.	2001-09	11688137
Analysis of cocaine, benzoylecgonine, ecogonine methyl ester, and ecgonine by high-pressure liquid chromatography-API mass spectrometry and application to a short-term degradation study of cocaine in plasma.	2001-09	11550815
A catalytic antibody against cocaine attenuates cocaine's cardiovascular effects in mice: a dose and time course analysis.	2001-06	11407313
Ecgonine is an important marker for cocaine use in inadequately preserved specimens.	2001-04	11327356
In vitro stability of cocaine in whole blood and plasma including ecgonine as a target analyte.	2001-04	11294520
Human liver carboxylesterase hCE-1: binding specificity for cocaine, heroin, and their metabolites and analogs.	1997-09	9311626

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:57:13 GMT 2025` Edited by `admin` on `Tue Apr 01 22:57:13 GMT 2025`
Record UNII	Y35FJB3QBJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYLECGONINE

Preferred Name

English

ECGONINE METHYL ESTER

Common Name

English

Methylecgonine [WHO-DD]

Common Name

English

ECGONINE METHYL ESTER [MI]

Common Name

English

METHYLECOGNINE

Common Name

English

Code System Code Type Description

SMS_ID

100000126179