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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H17NO3
Molecular Weight 199.2473
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ECGONINE METHYL ESTER

SMILES

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

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 199.2473
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Human liver carboxylesterase hCE-1: binding specificity for cocaine, heroin, and their metabolites and analogs.
1997 Sep
A catalytic antibody against cocaine attenuates cocaine's cardiovascular effects in mice: a dose and time course analysis.
2001 Jun
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
Determination of the dermal penetration of esterom components using microdialysis sampling.
2003 Nov
Three-dimensional quantitative structure-activity relationship modeling of cocaine binding by a novel human monoclonal antibody.
2004 Jan 1
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
Gender differences in cocaine pharmacokinetics in CF-1 mice.
2005 Jan 15
Concentration profiles of cocaine, pyrolytic methyl ecgonidine and thirteen metabolites in human blood and urine: determination by gas chromatography-mass spectrometry.
2005 Nov
Simultaneous analyses of cocaine, cocaethylene, and their possible metabolic and pyrolytic products.
2006 Feb 10
Relationships between concentrations of cocaine and its hydrolysates in peripheral blood, heart blood, vitreous humor and urine.
2006 Mar
Rapid analysis of benzoylecgonine in urine by fast gas chromatography-mass spectrometry.
2006 Oct
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
Bioanalytical procedures for determination of drugs of abuse in blood.
2007 Aug
Cocaine and metabolites urinary excretion after controlled smoked administration.
2007 Oct
Abstracts of papers presented at the 2008 pittsburgh conference.
2008
Alpha2-containing GABA(A) receptors are involved in mediating stimulant effects of cocaine.
2008 Jul
Tropane alkaloids as medicinally useful natural products and their synthetic derivatives as new drugs.
2008 Jul-Aug
Identification of metabolites with anticancer properties by computational metabolomics.
2008 Jun 17
Application of discriminant analysis to differentiate between incorporation of cocaine and its congeners into hair and contamination.
2008 Mar 21
An automated SPE/LC/MS/MS method for the analysis of cocaine and metabolites in whole blood.
2008 Oct 15
Using molecular similarity to highlight the challenges of routine immunoassay-based drug of abuse/toxicology screening in emergency medicine.
2009 Apr 28
Can cocaine use be evaluated through analysis of wastewater? A nation-wide approach conducted in Belgium.
2009 May
The hydrated and anhydrous gold(III) tetrachloride salts of L-ecgonine, an important forensic toxicology marker for cocaine.
2010 Jan
Urinary excretion of ecgonine and five other cocaine metabolites following controlled oral, intravenous, intranasal, and smoked administration of cocaine.
2010 Mar
Quantification of drugs of abuse in municipal wastewater via SPE and direct injection liquid chromatography mass spectrometry.
2010 Nov
Substance Class Chemical
Created
by admin
on Sat Jun 26 05:00:02 UTC 2021
Edited
by admin
on Sat Jun 26 05:00:02 UTC 2021
Record UNII
Y35FJB3QBJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ECGONINE METHYL ESTER
MI  
Common Name English
METHYLECGONINE
WHO-DD  
Common Name English
ECGONINE METHYL ESTER [MI]
Common Name English
METHYLECGONINE [WHO-DD]
Common Name English
METHYLECOGNINE
Common Name English
Code System Code Type Description
MESH
C034524
Created by admin on Sat Jun 26 05:00:03 UTC 2021 , Edited by admin on Sat Jun 26 05:00:03 UTC 2021
PRIMARY
DRUG BANK
DB04688
Created by admin on Sat Jun 26 05:00:03 UTC 2021 , Edited by admin on Sat Jun 26 05:00:03 UTC 2021
PRIMARY
FDA UNII
Y35FJB3QBJ
Created by admin on Sat Jun 26 05:00:03 UTC 2021 , Edited by admin on Sat Jun 26 05:00:03 UTC 2021
PRIMARY
PUBCHEM
104904
Created by admin on Sat Jun 26 05:00:03 UTC 2021 , Edited by admin on Sat Jun 26 05:00:03 UTC 2021
PRIMARY
CAS
7143-09-1
Created by admin on Sat Jun 26 05:00:03 UTC 2021 , Edited by admin on Sat Jun 26 05:00:03 UTC 2021
PRIMARY
EVMPD
SUB33037
Created by admin on Sat Jun 26 05:00:03 UTC 2021 , Edited by admin on Sat Jun 26 05:00:03 UTC 2021
PRIMARY
MERCK INDEX
M4810
Created by admin on Sat Jun 26 05:00:03 UTC 2021 , Edited by admin on Sat Jun 26 05:00:03 UTC 2021
PRIMARY Merck Index
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
ACTIVE MOIETY