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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
Structure of SULINDAC, TRANS-

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-RQZCQDPDSA-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+

HIDE SMILES / InChI

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 Sat Dec 16 07:58:19 UTC 2023
Edited
by admin
on Sat Dec 16 07:58:19 UTC 2023
Record UNII
5NVO8803F9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULINDAC, TRANS-
Common Name English
SULINDAC IMPURITY A [EP IMPURITY]
Common Name English
SULINDAC RELATED COMPOUND A [USP IMPURITY]
Common Name English
SULINDAC RELATED COMPOUND A [USP-RS]
Common Name English
(E)-(5-FLUORO-2-METHYL-1-(4-(METHYLSULFINYL)BENZYLIDENE)-1H-INDEN-3-YL)ACETIC ACID
Systematic Name English
1H-INDENE-3-ACETIC ACID, 5-FLUORO-2-METHYL-1-((4-(METHYLSULFINYL)PHENYL)METHYLENE)-, (1E)-
Systematic Name English
SULINDAC, TRANS-(±)-
Common Name English
TRANS-SULINDAC
Common Name English
SULINDAC RELATED COMPOUND A
USP-RS  
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90860554
Created by admin on Sat Dec 16 07:58:19 UTC 2023 , Edited by admin on Sat Dec 16 07:58:19 UTC 2023
PRIMARY
FDA UNII
5NVO8803F9
Created by admin on Sat Dec 16 07:58:19 UTC 2023 , Edited by admin on Sat Dec 16 07:58:19 UTC 2023
PRIMARY
ECHA (EC/EINECS)
258-873-0
Created by admin on Sat Dec 16 07:58:19 UTC 2023 , Edited by admin on Sat Dec 16 07:58:19 UTC 2023
PRIMARY
CAS
53933-60-1
Created by admin on Sat Dec 16 07:58:19 UTC 2023 , Edited by admin on Sat Dec 16 07:58:19 UTC 2023
PRIMARY
RS_ITEM_NUM
1642019
Created by admin on Sat Dec 16 07:58:19 UTC 2023 , Edited by admin on Sat Dec 16 07:58:19 UTC 2023
PRIMARY
PUBCHEM
1548885
Created by admin on Sat Dec 16 07:58:19 UTC 2023 , Edited by admin on Sat Dec 16 07:58:19 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP