Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H15NO3.ClH |
| Molecular Weight | 221.681 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CN1[C@H]2CC[C@@H]1[C@H]([C@@H](O)C2)C(O)=O
InChI
InChIKey=HVWQTEPEBQYIFB-PXXJPSRFSA-N
InChI=1S/C9H15NO3.ClH/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5;/h5-8,11H,2-4H2,1H3,(H,12,13);1H/t5-,6+,7-,8+;/m0./s1
| 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 |
| 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 |
|
| A catalytic antibody against cocaine attenuates cocaine's cardiovascular effects in mice: a dose and time course analysis. | 2001 Jun |
|
| Synthesis and dopamine transporter binding of 2beta-isopropyl ester analogs of cocaine. | 2002 Feb |
|
| 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 |
|
| Tropane alkaloids as medicinally useful natural products and their synthetic derivatives as new drugs. | 2008 Jul-Aug |
|
| Urinary excretion of ecgonine and five other cocaine metabolites following controlled oral, intravenous, intranasal, and smoked administration of cocaine. | 2010 Mar |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:53:12 GMT 2023
by
admin
on
Sat Dec 16 08:53:12 GMT 2023
|
| Record UNII |
W1Q6UAE4VA
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Classification Tree | Code System | Code | ||
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DEA NO. |
9180
Created by
admin on Sat Dec 16 08:53:12 GMT 2023 , Edited by admin on Sat Dec 16 08:53:12 GMT 2023
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DTXSID90973532
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10933027
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m4810
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PRIMARY | Merck Index | ||
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5796-31-6
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W1Q6UAE4VA
Created by
admin on Sat Dec 16 08:53:12 GMT 2023 , Edited by admin on Sat Dec 16 08:53:12 GMT 2023
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PRIMARY |