Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H17FO2S |
Molecular Weight | 340.411 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CSC1=CC=C(\C=C2\C(C)=C(CC(O)=O)C3=C2C=CC(F)=C3)C=C1
InChI
InChIKey=LFWHFZJPXXOYNR-MFOYZWKCSA-N
InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
Molecular Formula | C20H17FO2S |
Molecular Weight | 340.411 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:38:26 UTC 2023
by
admin
on
Fri Dec 15 18:38:26 UTC 2023
|
Record UNII |
6UVA8S2DEY
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1323
Created by
admin on Fri Dec 15 18:38:26 UTC 2023 , Edited by admin on Fri Dec 15 18:38:26 UTC 2023
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Code System | Code | Type | Description | ||
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C025462
Created by
admin on Fri Dec 15 18:38:26 UTC 2023 , Edited by admin on Fri Dec 15 18:38:26 UTC 2023
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PRIMARY | |||
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1642031
Created by
admin on Fri Dec 15 18:38:26 UTC 2023 , Edited by admin on Fri Dec 15 18:38:26 UTC 2023
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PRIMARY | |||
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DTXSID0049078
Created by
admin on Fri Dec 15 18:38:26 UTC 2023 , Edited by admin on Fri Dec 15 18:38:26 UTC 2023
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PRIMARY | |||
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49627-27-2
Created by
admin on Fri Dec 15 18:38:26 UTC 2023 , Edited by admin on Fri Dec 15 18:38:26 UTC 2023
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PRIMARY | |||
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C29854
Created by
admin on Fri Dec 15 18:38:26 UTC 2023 , Edited by admin on Fri Dec 15 18:38:26 UTC 2023
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PRIMARY | NCIT | ||
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6UVA8S2DEY
Created by
admin on Fri Dec 15 18:38:26 UTC 2023 , Edited by admin on Fri Dec 15 18:38:26 UTC 2023
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PRIMARY | |||
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5352624
Created by
admin on Fri Dec 15 18:38:26 UTC 2023 , Edited by admin on Fri Dec 15 18:38:26 UTC 2023
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PRIMARY | |||
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256-403-9
Created by
admin on Fri Dec 15 18:38:26 UTC 2023 , Edited by admin on Fri Dec 15 18:38:26 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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Related Record | Type | Details | ||
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PRODRUG -> METABOLITE ACTIVE |
Available evidence indicates that the biological activity resides with the sulfide metabolite.
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Related Record | Type | Details | ||
---|---|---|---|---|
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
---|---|---|---|---|
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ACTIVE MOIETY |