Chem
J-GLOBAL ID：201407051793160848   Nikkaji number：J3.232.387A

Rigosertib

リゴセルチブ
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： C21H24NNaO8S
Molecular formula furigana： C21-H24-N-NA-O8-S
Molecular weight： 473.470
InChI： InChI=1S/C21H25NO8S.Na/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24;/h5-11,22H,12-13H2,1-4H3,(H,23,24);/q;+1/p-1
InChI key： VLQLUZFVFXYXQE-UHFFFAOYSA-M
SMILES： COc1cc(OC)c(C=CS(=O)(=O)Cc2ccc(OC)c(NCC(=O)O[Na])c2)c(OC)c1
Systematic name  (3)：
  • [[3-[[[2-(2,4,6-トリメトキシフェニル)エテニル]スルホニル]メチル]-6-メトキシフェニル]アミノ]酢酸ナトリウム
  • ナトリウム 2-[(2-メトキシ-5-{[2-(2,4,6-トリメトキシフェニル)エテンスルホニル]メチル}フェニル)アミノ]アセタート
  • sodium 2-[(2-methoxy-5-{[2-(2,4,6-trimethoxyphenyl)ethenesulfonyl]methyl}phenyl)amino]acetate
Other name (3)：
  • [[3-[[[2-(2,4,6-Trimethoxyphenyl)ethenyl]sulfonyl]methyl]-6-methoxyphenyl]amino]acetic acid sodium salt
  • リゴセルチブ
  • Rigosertib
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