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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H19NO3
Molecular Weight 213.2735
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ECGONINE ETHYL ESTER

SMILES

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

InChI

InChIKey=ABDMBNAKYBUEEX-QCLAVDOMSA-N
InChI=1S/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8+,9-,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H19NO3
Molecular Weight 213.2735
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Quantification of drugs of abuse in municipal wastewater via SPE and direct injection liquid chromatography mass spectrometry.
2010-11
Simultaneous liquid chromatography-mass spectrometry quantification of urinary opiates, cocaine, and metabolites in opiate-dependent pregnant women in methadone-maintenance treatment.
2010-01-30
Sensitive method for detection of cocaine and associated analytes by liquid chromatography-tandem mass spectrometry in urine.
2009-10
Bioanalytical procedures for determination of drugs of abuse in blood.
2007-08
Transcriptional changes common to human cocaine, cannabis and phencyclidine abuse.
2006-12-27
Simultaneous quantification of methamphetamine, cocaine, codeine, and metabolites in skin by positive chemical ionization gas chromatography-mass spectrometry.
2006-04-03
Simultaneous analyses of cocaine, cocaethylene, and their possible metabolic and pyrolytic products.
2006-02-10
A validated positive chemical ionization GC/MS method for the identification and quantification of amphetamine, opiates, cocaine, and metabolites in human postmortem brain.
2006-02
Concentration profiles of cocaine, pyrolytic methyl ecgonidine and thirteen metabolites in human blood and urine: determination by gas chromatography-mass spectrometry.
2005-11
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
The pharmacology of cocaethylene in humans following cocaine and ethanol administration.
2003-11-24
Studies on metabolic pathways of cocaine and its metabolites using microsome preparations from rat organs.
2003-03
Detection of cocaine and its metabolites in breast milk.
2001-09
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:06:56 GMT 2025
Edited
by admin
on Mon Mar 31 18:06:56 GMT 2025
Record UNII
WTI50ROZ5V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ECGONINE ETHYL ESTER
Common Name English
J472.695B
Preferred Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-METHYL-, ETHYL ESTER, (1R,2R,3S,5S)-
Systematic Name English
ETHYL ECGONINE
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-HYDROXY-8-METHYL-, ETHYL ESTER, (1R-(EXO,EXO))-
Systematic Name English
ETHYLECGONINE
Common Name English
Code System Code Type Description
FDA UNII
WTI50ROZ5V
Created by admin on Mon Mar 31 18:06:56 GMT 2025 , Edited by admin on Mon Mar 31 18:06:56 GMT 2025
PRIMARY
SMS_ID
300000056479
Created by admin on Mon Mar 31 18:06:56 GMT 2025 , Edited by admin on Mon Mar 31 18:06:56 GMT 2025
PRIMARY
CAS
70939-97-8
Created by admin on Mon Mar 31 18:06:56 GMT 2025 , Edited by admin on Mon Mar 31 18:06:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID30991235
Created by admin on Mon Mar 31 18:06:56 GMT 2025 , Edited by admin on Mon Mar 31 18:06:56 GMT 2025
PRIMARY
PUBCHEM
18656861
Created by admin on Mon Mar 31 18:06:56 GMT 2025 , Edited by admin on Mon Mar 31 18:06:56 GMT 2025
PRIMARY