Chem
J-GLOBAL ID：202007011329720390   Nikkaji number：J3.747.914D

Siponimod

シポニモド
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： C29H35F3N2O3
Molecular formula furigana： C29-H35-F3-N2-O3
Molecular weight： 516.605
InChI： InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
InChI key： KIHYPELVXPAIDH-HNSNBQBZSA-N
SMILES： C1(CN(C1)Cc1c(cc(cc1)/C(=N/OCc1cc(c(cc1)C1CCCCC1)C(F)(F)F)/C)CC)C(=O)O
Systematic name  (3)：
  • 1-[4-[1-[(E)-[4-シクロヘキシル-3-(トリフルオロメチル)ベンジルオキシ]イミノ]エチル]-2-エチルベンジル]アゼチジン-3-カルボン酸
  • 1-({4-[(1E)-1-({[4-シクロヘキシル-3-(トリフルオロメチル)フェニル]メトキシ}イミノ)エチル]-2-エチルフェニル}メチル)アゼチジン-3-カルボン酸
  • 1-({4-[(1E)-1-({[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy}imino)ethyl]-2-ethylphenyl}methyl)azetidine-3-carboxylic acid
Other name (2)：
  • シポニモド
  • siponimod
Application (1)：
Multiple Sclerosis
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