Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C10H17NO3.ClH |
| Molecular Weight | 235.708 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)N2C
InChI
InChIKey=RLLMNWXOZDXKCQ-NPPHLGRCSA-N
InChI=1S/C10H17NO3.ClH/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2;/h6-9,12H,3-5H2,1-2H3;1H/t6-,7+,8-,9+;/m0./s1
| 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 |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Human liver carboxylesterase hCE-1: binding specificity for cocaine, heroin, and their metabolites and analogs. | 1997 Sep |
|
| Ecgonine is an important marker for cocaine use in inadequately preserved specimens. | 2001 Apr |
|
| 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 |
|
| Concentration profiles of cocaine, pyrolytic methyl ecgonidine and thirteen metabolites in human blood and urine: determination by gas chromatography-mass spectrometry. | 2005 Nov |
|
| 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 |
|
| 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 |
|
| Using molecular similarity to highlight the challenges of routine immunoassay-based drug of abuse/toxicology screening in emergency medicine. | 2009 Apr 28 |
|
| 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 15:54:08 UTC 2023
by
admin
on
Fri Dec 15 15:54:08 UTC 2023
|
| Record UNII |
VY81V42YYZ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
162352
Created by
admin on Fri Dec 15 15:54:08 UTC 2023 , Edited by admin on Fri Dec 15 15:54:08 UTC 2023
|
PRIMARY | |||
|
DTXSID10959818
Created by
admin on Fri Dec 15 15:54:08 UTC 2023 , Edited by admin on Fri Dec 15 15:54:08 UTC 2023
|
PRIMARY | |||
|
38969-40-3
Created by
admin on Fri Dec 15 15:54:08 UTC 2023 , Edited by admin on Fri Dec 15 15:54:08 UTC 2023
|
PRIMARY | |||
|
VY81V42YYZ
Created by
admin on Fri Dec 15 15:54:08 UTC 2023 , Edited by admin on Fri Dec 15 15:54:08 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SALT/SOLVATE -> PARENT |
APPROXIMATE PURE ANHYDROUS DRUG CONTENT (IN PERCENT)
|
||
|
|
SALT/SOLVATE -> PARENT | |||
|
|
PARENT -> SALT/SOLVATE |
