Chem
J-GLOBAL ID：201807006470243641   Nikkaji number：J3.731.017D

ponesimod

ポネシモド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C23H25ClN2O4S
Molecular formula furigana： C23-H25-CL-N2-O4-S
Molecular weight： 460.970
InChI： InChI=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
InChI key： LPAUOXUZGSBGDU-STDDISTJSA-N
SMILES： S1/C(=N\CCC)/N(C(=O)/C/1=C/c1cc(c(cc1)OC[C@@H](CO)O)Cl)c1c(cccc1)C
Systematic name  (3)：
  • (2Z,5Z)-5-[3-クロロ-4-[(R)-2,3-ジヒドロキシプロポキシ]ベンジリデン]-3-(2-メチルフェニル)-2-(プロピルイミノ)チアゾリジン-4-オン
  • (2Z,5Z)-5-({3-クロロ-4-[(2R)-2,3-ジヒドロキシプロポキシ]フェニル}メチリデン)-3-(2-メチルフェニル)-2-(プロピルイミノ)-1,3-チアゾリジン-4-オン
  • (2Z,5Z)-5-({3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl}methylidene)-3-(2-methylphenyl)-2-(propylimino)-1,3-thiazolidin-4-one
Other name (2)：
  • ポネシモド
  • ponesimod
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