ECGONINE

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

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

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

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 the highest no-effect dose (HNED) and of the elimination pattern for cocaine in horses.	2002 Mar-Apr	11920936
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
Concentration profiles of cocaine, pyrolytic methyl ecgonidine and thirteen metabolites in human blood and urine: determination by gas chromatography-mass spectrometry.	2005 Nov	15841503
Tropane alkaloids as medicinally useful natural products and their synthetic derivatives as new drugs.	2008 Jul-Aug	18799813
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
Urinary excretion of ecgonine and five other cocaine metabolites following controlled oral, intravenous, intranasal, and smoked administration of cocaine.	2010 Mar	20223096

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:05:49 UTC 2023` Edited by `admin` on `Fri Dec 15 15:05:49 UTC 2023`
Record UNII	DX2E9E17AV
Record Status	`Validated (UNII)`
Record Version

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