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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
Structure of SULINDAC SULFIDE

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-

HIDE SMILES / InChI

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 Fri Dec 15 18:38:26 UTC 2023
Edited
by admin
on Fri Dec 15 18:38:26 UTC 2023
Record UNII
6UVA8S2DEY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULINDAC SULFIDE
Common Name English
Z-SULINDAC SULFIDE
Common Name English
SULINDAC SULFIDE, (Z)-
Common Name English
1H-INDENE-3-ACETIC ACID, 5-FLUORO-2-METHYL-1-((4-(METHYLTHIO)PHENYL)METHYLENE)-, (1Z)-
Common Name English
SULINDAC RELATED COMPOUND C [USP IMPURITY]
Common Name English
CIS-SULINDAC SULFIDE
Common Name English
SULINDAC RELATED COMPOUND C
USP-RS  
Common Name English
SULINDAC IMPURITY C [EP IMPURITY]
Common Name English
SULINDAC SULPHIDE, (Z)-
Common Name English
SULINDAC RELATED COMPOUND C [USP-RS]
Common Name English
Classification Tree Code System Code
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
Code System Code Type Description
MESH
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
PRIMARY
RS_ITEM_NUM
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
PRIMARY
EPA CompTox
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
PRIMARY
CAS
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
PRIMARY
NCI_THESAURUS
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
PRIMARY NCIT
FDA UNII
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
PRIMARY
PUBCHEM
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
PRIMARY
ECHA (EC/EINECS)
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
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Available evidence indicates that the biological activity resides with the sulfide metabolite.
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
ACTIVE MOIETY