U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H17FO3S
Molecular Weight 356.411
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SULINDAC, TRANS-(R)-

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-SFEFPRELSA-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+/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H17FO3S
Molecular Weight 356.411
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

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
85J4RRY34N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULINDAC, TRANS-(R)-
Common Name English
1H-INDENE-3-ACETIC ACID, 5-FLUORO-2-METHYL-1-((4-((R)-METHYLSULFINYL)PHENYL)METHYLENE)-, (1E)-
Systematic Name English
Code System Code Type Description
FDA UNII
85J4RRY34N
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
1316775-71-9
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
11861119
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
RACEMATE -> ENANTIOMER