ECGONINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C9H15NO3
Molecular Weight	185.2203
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=PHMBVCPLDPDESM-FKSUSPILSA-N

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

HIDE SMILES / InChI

Approval Year

PubMed

Title	Date	PubMed
Human liver carboxylesterase hCE-1: binding specificity for cocaine, heroin, and their metabolites and analogs.	1997 Sep	9311626
Synthesis and dopamine transporter binding of 2beta-isopropyl ester analogs of cocaine.	2002 Feb	11858849
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
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

Name

Type

Language

ECGONINE

Common Name

English

IDS-NE-001

Code

English

ECGONINE [MI]

Common Name

English

3.BETA.-HYDROXY-1.ALPHA.H,5.ALPHA.H-TROPANE-2.BETA.-CARBOXYLIC ACID

Common Name

English

3.BETA.-HYDROXY-2.BETA.-TROPANECARBOXYLIC ACID

Common Name

English

Ecgonine [WHO-DD]

Common Name

English

(1R,2R,3S,5S)-3-HYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID

Systematic Name

English

EKGONIN

Common Name

English

Classification Tree Code System Code

DEA NO.

9180