Sulindac

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Systematic / IUPAC Name: {(1E)-5-Fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid

ID: Reference7214

Other Names: Aflodac;
Algocetil;
Artribid;
Citireuma;
Clisundac ; more

Formula: C20H17FO3S

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Sulindac mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/4/2018 6:30:52 AM
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Identificators

InChI 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+
InChI Key MLKXDPUZXIRXEP-RQZCQDPDSA-N
Canonical SMILES CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
CAS 38194502
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Other Names Aflodac;
Algocetil;
Artribid;
Citireuma;
Clisundac;
Imbaral;
Reumofil;
Reumyl;
Sudac;
Sulindac, trans-;
Sulindac, trans-(S)-;
Sulinol;
Sulreuma;
(E)-2-(5-Fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid;
[(1E)-5-Fluoro-2-methyl-1-{[4-(methylsulfinyl)phenyl]methylidene}-1H-inden-3-yl]acetic acid;
2-[(3E)-6-Fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid;
2-[(3E)-6-Fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid

In Other Databases

ChEMBL CHEMBL1376; CHEMBL3186192
PubChem 1548885
Wikipedia Sulindac
ChemIDPlus 063804159
ChemSpider 1265914
ChEBI CHEBI:93811