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Details

Stereochemistry RACEMIC
Molecular Formula C20H17FO4S
Molecular Weight 372.41
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-((3E)-6-FLUORO-2-(HYDROXYMETHYL)-3-((4-METHYLSULFINYLPHENYL)METHYLENE)INDEN-1-YL)ACETIC ACID

SMILES

C[S+]([O-])C1=CC=C(\C=C2/C3=CC=C(F)C=C3C(CC(O)=O)=C2CO)C=C1

InChI

InChIKey=YNFJNUKAJTWEPC-LZYBPNLTSA-N
InChI=1S/C20H17FO4S/c1-26(25)14-5-2-12(3-6-14)8-16-15-7-4-13(21)9-17(15)18(10-20(23)24)19(16)11-22/h2-9,22H,10-11H2,1H3,(H,23,24)/b16-8+

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-((3E)-6-FLUORO-2-(HYDROXYMETHYL)-3-((4-METHYLSULFINYLPHENYL)METHYLENE)INDEN-1-YL)ACETIC ACID
Systematic Name English
1H-INDENE-3-ACETIC ACID, 5-FLUORO-2-(HYDROXYMETHYL)-1-((4-(METHYLSULFINYL)PHENYL)METHYLENE)-
Systematic Name English
SULINDAC HYDROXY METABOLITE
Common Name English
Code System Code Type Description
CAS
53412-22-9
Created by admin on Sat Dec 16 13:59:22 GMT 2023 , Edited by admin on Sat Dec 16 13:59:22 GMT 2023
PRIMARY
PUBCHEM
137321759
Created by admin on Sat Dec 16 13:59:22 GMT 2023 , Edited by admin on Sat Dec 16 13:59:22 GMT 2023
PRIMARY
FDA UNII
2JQ8X61QDQ
Created by admin on Sat Dec 16 13:59:22 GMT 2023 , Edited by admin on Sat Dec 16 13:59:22 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of SULINDAC
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