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CHEBI:233412 - Ponesimod

Default Structure
ChEBI IDCHEBI:233412
ChEBI NamePonesimod
Stars
DefinitionPonesimod is a Sphingosine 1-phosphate Receptor Modulator. The mechanism of action of ponesimod is as a Sphingosine 1-Phosphate Receptor Modulator.
Submitterlbonaobra
DownloadsMolfile
FormulaC23H25ClN2O4S
Net Charge0
Average Mass460.983
Monoisotopic Mass460.12236
SMILESCCC/N=C1\S/C(=C\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
InChIInChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m1/s1
InChIKeyLPAUOXUZGSBGDU-STDDISTJSA-N
ChEBI Ontology
Outgoing Relation(s)
Ponesimod (CHEBI:233412) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
(5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-oneSUBMITTER
854107-55-4SUBMITTER
Registry NumbersSources
CAS:854107-55-4SUBMITTER