Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H8N2O3S |
| Molecular Weight | 260.269 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(SC(=N1)C2=CC=C(O)C(=C2)C#N)C(O)=O
InChI
InChIKey=ZJDGVDDELZNDRA-UHFFFAOYSA-N
InChI=1S/C12H8N2O3S/c1-6-10(12(16)17)18-11(14-6)7-2-3-9(15)8(4-7)5-13/h2-4,15H,1H3,(H,16,17)
| Molecular Formula | C12H8N2O3S |
| Molecular Weight | 260.269 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 21:47:07 GMT 2025
by
admin
on
Tue Apr 01 21:47:07 GMT 2025
|
| Record UNII |
WV8DAC6G3N
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID30735575
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407582-48-3
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admin on Tue Apr 01 21:47:07 GMT 2025 , Edited by admin on Tue Apr 01 21:47:07 GMT 2025
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WV8DAC6G3N
Created by
admin on Tue Apr 01 21:47:07 GMT 2025 , Edited by admin on Tue Apr 01 21:47:07 GMT 2025
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135482091
Created by
admin on Tue Apr 01 21:47:07 GMT 2025 , Edited by admin on Tue Apr 01 21:47:07 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
67M-3, a major metabolite formed in vitro, was not detected in significant amount in vivo. 67M-3 was mainly metabolized by CYP1A1, whose level is low in healthy non-smoking
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