Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H18ClNO4S |
| Molecular Weight | 355.836 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC(=O)[C@@H](N1CC[C@@H](S)\C(C1)=C/C(O)=O)C2=CC=CC=C2Cl
InChI
InChIKey=CWUDNVCEAAXNQA-VLODSAPTSA-N
InChI=1S/C16H18ClNO4S/c1-22-16(21)15(11-4-2-3-5-12(11)17)18-7-6-13(23)10(9-18)8-14(19)20/h2-5,8,13,15,23H,6-7,9H2,1H3,(H,19,20)/b10-8-/t13-,15+/m1/s1
| Molecular Formula | C16H18ClNO4S |
| Molecular Weight | 355.836 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:29:07 GMT 2025
by
admin
on
Mon Mar 31 22:29:07 GMT 2025
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| Record UNII |
4T2K9E4TEH
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| Record Status |
Validated (UNII)
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| Record Version |
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Common Name | English | ||
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Preferred Name | English | ||
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| Code System | Code | Type | Description | ||
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4T2K9E4TEH
Created by
admin on Mon Mar 31 22:29:07 GMT 2025 , Edited by admin on Mon Mar 31 22:29:07 GMT 2025
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PRIMARY | |||
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1148015-30-8
Created by
admin on Mon Mar 31 22:29:07 GMT 2025 , Edited by admin on Mon Mar 31 22:29:07 GMT 2025
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ALTERNATIVE | |||
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1147350-77-3
Created by
admin on Mon Mar 31 22:29:07 GMT 2025 , Edited by admin on Mon Mar 31 22:29:07 GMT 2025
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ALTERNATIVE | |||
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71712269
Created by
admin on Mon Mar 31 22:29:07 GMT 2025 , Edited by admin on Mon Mar 31 22:29:07 GMT 2025
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317322-48-8
Created by
admin on Mon Mar 31 22:29:07 GMT 2025 , Edited by admin on Mon Mar 31 22:29:07 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
IN-VITRO
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PRODRUG -> METABOLITE ACTIVE |
Cmax: 11.0 ng/mL (%CV: 49.9); Tmax: 0.75 h (0.5 h (min.), 2.0 h (max)); AUC(TAU): 11.5 ng*h/mL (%CV: 45.2); T-half: 0.97 h (SD: 0.798)
ASSAY (HPLC)
PLASMA
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PRODRUG -> METABOLITE ACTIVE |
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PRODRUG -> METABOLITE ACTIVE |
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PRODRUG -> METABOLITE ACTIVE |
IN-VITRO
Scientific Literature
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||
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PRODRUG -> METABOLITE ACTIVE |
IN-VIVO
PLASMA
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
