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
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
Rapid analysis of benzoylecgonine in urine by fast gas chromatography-mass spectrometry.	2006 Oct	17132251
Abstracts of papers presented at the 2008 pittsburgh conference.	2008	19365566
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
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