Chem
J-GLOBAL ID：200907086970571479   Nikkaji number：J653.314K

PD-156707

PD-156707
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： C28H25NaO9
Molecular formula furigana： C28-H25-NA-O9
Molecular weight： 528.489
InChI： InChI=1S/C28H26O9.Na/c1-32-19-8-5-17(6-9-19)26(29)20(11-16-12-23(33-2)27(35-4)24(13-16)34-3)25(28(30)31)18-7-10-21-22(14-18)37-15-36-21;/h5-10,12-14H,11,15H2,1-4H3,(H,30,31);/q;+1/p-1
InChI key： ZLHQEGFYBMZQGM-UHFFFAOYSA-M
SMILES： COc1ccc(cc1)C(=O)C(=C(C(=O)O[Na])c1ccc2OCOc2c1)Cc1cc(OC)c(OC)c(OC)c1
Systematic name  (3)：
  • α-[1-(3,4,5-トリメトキシベンジル)-2-オキソ-2-(4-メトキシフェニル)エチリデン]-1,3-ベンゾジオキソール-5-酢酸ナトリウム
  • ナトリウム 2-(2H-1,3-ベンゾジオキソール-5-イル)-4-(4-メトキシフェニル)-4-オキソ-3-[(3,4,5-トリメトキシフェニル)メチル]ブタ-2-エノアート
  • sodium 2-(2H-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoate
Other name (3)：
  • PD-156707
  • α-[1-(3,4,5-Trimethoxybenzyl)-2-oxo-2-(4-methoxyphenyl)ethylidene]-1,3-benzodioxole-5-acetic acid sodium salt
  • CI-1020
Application (2)：
endothelin antagonist ,  vasoactive drug
Thsaurus map：
Thesaurus Map

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