Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H17FO3S |
Molecular Weight | 356.411 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[S+]([O-])C1=CC=C(\C=C2\C(C)=C(CC(O)=O)C3=C2C=CC(F)=C3)C=C1
InChI
InChIKey=MLKXDPUZXIRXEP-MFOYZWKCSA-N
InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)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 | C20H17FO3S |
Molecular Weight | 356.411 |
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 19:14:02 UTC 2023
by
admin
on
Fri Dec 15 19:14:02 UTC 2023
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Record UNII |
184SNS8VUH
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
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Official Name | English | ||
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Code | English | ||
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Code | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1323
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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WHO-ATC |
M01AB02
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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NDF-RT |
N0000175722
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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FDA ORPHAN DRUG |
619917
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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LIVERTOX |
NBK548315
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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FDA ORPHAN DRUG |
387012
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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FDA ORPHAN DRUG |
818421
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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WHO-VATC |
QM01AB02
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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NDF-RT |
N0000175721
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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NDF-RT |
N0000000160
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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EU-Orphan Drug |
EU/3/12/1086
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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FDA ORPHAN DRUG |
752620
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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Code System | Code | Type | Description | ||
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9352
Created by
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PRIMARY | |||
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757344
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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184SNS8VUH
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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SUB10744MIG
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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DTXSID4023624
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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SULINDAC
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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5425
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PRIMARY | |||
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1548887
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PRIMARY | |||
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100000092515
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PRIMARY | |||
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3791
Created by
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PRIMARY | |||
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2534
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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38194-50-2
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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m10382
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | Merck Index | ||
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C850
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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Sulindac
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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184SNS8VUH
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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10237
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | RxNorm | ||
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CHEMBL15770
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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DB00605
Created by
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PRIMARY | |||
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1642008
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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253-819-2
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY | |||
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D013467
Created by
admin on Fri Dec 15 19:14:03 UTC 2023 , Edited by admin on Fri Dec 15 19:14:03 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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BINDER->LIGAND |
BINDING
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TRANSPORTER -> INHIBITOR | |||
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BASIS OF STRENGTH->SUBSTANCE |
ASSAY (TITRATION)
EP
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TRANSPORTER -> INHIBITOR | |||
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TRANSPORTER -> INHIBITOR | |||
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TRANSPORTER -> INHIBITOR | |||
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TRANSPORTER -> INHIBITOR | |||
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METABOLIC ENZYME -> SUBSTRATE | |||
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TARGET -> INHIBITOR |
IC50
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BASIS OF STRENGTH->SUBSTANCE |
ASSAY (TITRATION)
USP
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Related Record | Type | Details | ||
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METABOLITE -> PARENT | |||
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METABOLITE -> PARENT | |||
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METABOLITE ACTIVE -> PRODRUG |
Available evidence indicates that the biological activity resides with the sulfide metabolite.
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METABOLITE -> PARENT | |||
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METABOLITE -> PARENT |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
Ph.Eur.; USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
Ph.Eur.; USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
Ph.Eur.; USP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Biological Half-life | PHARMACOKINETIC |
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CSF/PLASMA RATIO | PHARMACOKINETIC |
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