Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C16H16ClNO3S.H2O4S |
| Molecular Weight | 435.9 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.COC(=O)[C@@H](N1CCC2SC(=O)C=C2C1)C3=CC=CC=C3Cl
InChI
InChIKey=UNHVSUGSGIXYQF-LDCKTULKSA-N
InChI=1S/C16H16ClNO3S.H2O4S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13;1-5(2,3)4/h2-5,8,13,15H,6-7,9H2,1H3;(H2,1,2,3,4)/t13?,15-;/m0./s1
| Molecular Formula | C16H16ClNO3S |
| Molecular Weight | 337.821 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| 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 |
|---|---|---|
| Identification of the human cytochrome P450 enzymes involved in the two oxidative steps in the bioactivation of clopidogrel to its pharmacologically active metabolite. | 2010 Jan |
|
| Cytochromes P450 catalyze both steps of the major pathway of clopidogrel bioactivation, whereas paraoxonase catalyzes the formation of a minor thiol metabolite isomer. | 2012 Feb 20 |
Patents
Sample Use Guides
2-oxo-clopidogrel (SR121682) is the essential key intermediate metabolite from which the active metabolite is formed. This was approved using enzymatic assay with human liver microsomes. SR121682 was added at a final concentration of 0.1 mM, and the reaction was initiated with 1 mM NADPH
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:36:19 GMT 2023
by
admin
on
Sat Dec 16 14:36:19 GMT 2023
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| Record UNII |
R98IO5OIG5
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| Record Status |
Validated (UNII)
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| Record Version |
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Created by
admin on Sat Dec 16 14:36:19 GMT 2023 , Edited by admin on Sat Dec 16 14:36:19 GMT 2023
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