Seladelpar S-Sulfoxide
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  • New Jersey, USA
  • Czech Republic, EU
  • Mumbai, India

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Seladelpar S-Sulfoxide

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Catalogue No.:VE0028806
CAS No.:N/A
Mol. Formula:C21H23F3O6S
Mol. Weight:460.46 g/mol

Additional information on

Parent drug

Seladelpar

IUPAC Name

2-(4-((S)-((R)-2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)sulfinyl)-2-methylphenoxy)acetic acid

Pharmacopeial Synonyms

N/A

Synonyms

Seladelpar S-oxide impurity

Smiles

O=C(O)COC1=CC=C([S@](C[C@H](OCC)COC2=CC=C(C(F)(F)F)C=C2)=O)C=C1C

InChI

InChI=1S/C21H23F3O6S/c1-3-28-17(11-29-16-6-4-15(5-7-16)21(22,23)24)13-31(27)18-8-9-19(14(2)10-18)30-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-,31+/m1/s1

Description

Seladelpar S-Sulfoxide is the sulfoxide oxidation product of seladelpar, formally designated as an oxidative process impurity and potential degradation marker rather than a distinct pharmacophore. With molecular formula C21H23F3O6S and molecular weight 460.46 g/mol, it contains a stereogenic sulfur center that may exist as configurationally relevant sulfoxide isomers. Formation is typically associated with peroxide-mediated oxidation during synthesis, storage, or sample handling. Characterization and assay generally require LC-MS/MS with high-resolution mass spectrometry, often complemented by HPLC-UV and, where needed, NMR for structural confirmation. Regulatory evaluation focuses on impurity profiling and degradation pathway mapping under ICH Q3A/Q3B principles.

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