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
Human liver carboxylesterase hCE-1: binding specificity for cocaine, heroin, and their metabolites and analogs.	1997 Sep	9311626
Ecgonine is an important marker for cocaine use in inadequately preserved specimens.	2001 Apr	11327356
In vitro stability of cocaine in whole blood and plasma including ecgonine as a target analyte.	2001 Apr	11294520
A catalytic antibody against cocaine attenuates cocaine's cardiovascular effects in mice: a dose and time course analysis.	2001 Jun	11407313
2'-substituted analogs of cocaine: synthesis and dopamine transporter binding potencies.	2001 Sep	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 Sep	11550815
Synthesis and dopamine transporter binding of 2beta-isopropyl ester analogs of cocaine.	2002 Feb	11858849
Determination of the highest no-effect dose (HNED) and of the elimination pattern for cocaine in horses.	2002 Mar-Apr	11920936
Determination of the dermal penetration of esterom components using microdialysis sampling.	2003 Nov	14661928
Three-dimensional quantitative structure-activity relationship modeling of cocaine binding by a novel human monoclonal antibody.	2004 Jan 1	14695827
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 Jul 5	15171923
Gender differences in cocaine pharmacokinetics in CF-1 mice.	2005 Jan 15	15585357
Concentration profiles of cocaine, pyrolytic methyl ecgonidine and thirteen metabolites in human blood and urine: determination by gas chromatography-mass spectrometry.	2005 Nov	15841503
Simultaneous analyses of cocaine, cocaethylene, and their possible metabolic and pyrolytic products.	2006 Feb 10	16428007
Relationships between concentrations of cocaine and its hydrolysates in peripheral blood, heart blood, vitreous humor and urine.	2006 Mar	16566784
Rapid analysis of benzoylecgonine in urine by fast gas chromatography-mass spectrometry.	2006 Oct	17132251
Cocaine profiling for strategic intelligence purposes, a cross-border project between France and Switzerland. Part I. Optimisation and harmonisation of the profiling method.	2007 Apr 11	16876353
Bioanalytical procedures for determination of drugs of abuse in blood.	2007 Aug	17468860
Cocaine and metabolites urinary excretion after controlled smoked administration.	2007 Oct	17988460
Abstracts of papers presented at the 2008 pittsburgh conference.	2008	19365566
Alpha2-containing GABA(A) receptors are involved in mediating stimulant effects of cocaine.	2008 Jul	18358520
Tropane alkaloids as medicinally useful natural products and their synthetic derivatives as new drugs.	2008 Jul-Aug	18799813
Identification of metabolites with anticancer properties by computational metabolomics.	2008 Jun 17	18559081
Application of discriminant analysis to differentiate between incorporation of cocaine and its congeners into hair and contamination.	2008 Mar 21	18063333
An automated SPE/LC/MS/MS method for the analysis of cocaine and metabolites in whole blood.	2008 Oct 15	18829399
Using molecular similarity to highlight the challenges of routine immunoassay-based drug of abuse/toxicology screening in emergency medicine.	2009 Apr 28	19400959
Can cocaine use be evaluated through analysis of wastewater? A nation-wide approach conducted in Belgium.	2009 May	19344443
The hydrated and anhydrous gold(III) tetrachloride salts of L-ecgonine, an important forensic toxicology marker for cocaine.	2010 Jan	20048413
Urinary excretion of ecgonine and five other cocaine metabolites following controlled oral, intravenous, intranasal, and smoked administration of cocaine.	2010 Mar	20223096
Quantification of drugs of abuse in municipal wastewater via SPE and direct injection liquid chromatography mass spectrometry.	2010 Nov	20865408

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:18:36 GMT 2023` Edited by `admin` on `Sat Dec 16 14:18:36 GMT 2023`
Record UNII	Y35FJB3QBJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECGONINE METHYL ESTER

Common Name

English

Methylecgonine [WHO-DD]

Common Name

English

METHYLECGONINE

Common Name

English

ECGONINE METHYL ESTER [MI]

Common Name

English

METHYLECOGNINE

Common Name

English

Code System Code Type Description

SMS_ID

100000126179