Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H15NO3.H2O |
| Molecular Weight | 203.2356 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CN1[C@H]2CC[C@@H]1[C@H]([C@@H](O)C2)C(O)=O
InChI
InChIKey=UGPQWACOCBWXEC-PXXJPSRFSA-N
InChI=1S/C9H15NO3.H2O/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H2/t5-,6+,7-,8+;/m0./s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C9H15NO3 |
| Molecular Weight | 185.2203 |
| 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 |
|
| In vitro stability of cocaine in whole blood and plasma including ecgonine as a target analyte. | 2001 Apr |
|
| 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 |
|
| Synthesis and dopamine transporter binding of 2beta-isopropyl ester analogs of cocaine. | 2002 Feb |
|
| Determination of the highest no-effect dose (HNED) and of the elimination pattern for cocaine in horses. | 2002 Mar-Apr |
|
| 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
Edited
Fri Dec 15 15:47:27 UTC 2023
by
admin
on
Fri Dec 15 15:47:27 UTC 2023
|
| Record UNII |
ET3PMG0528
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
m4810
Created by
admin on Fri Dec 15 15:47:27 UTC 2023 , Edited by admin on Fri Dec 15 15:47:27 UTC 2023
|
PRIMARY | Merck Index | ||
|
70269372
Created by
admin on Fri Dec 15 15:47:27 UTC 2023 , Edited by admin on Fri Dec 15 15:47:27 UTC 2023
|
PRIMARY | |||
|
ET3PMG0528
Created by
admin on Fri Dec 15 15:47:27 UTC 2023 , Edited by admin on Fri Dec 15 15:47:27 UTC 2023
|
PRIMARY | |||
|
5796-30-5
Created by
admin on Fri Dec 15 15:47:27 UTC 2023 , Edited by admin on Fri Dec 15 15:47:27 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |