Chem
J-GLOBAL ID：200907034380772894   Nikkaji number：J921.460G

SB-234551

SB-234551
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： C34H34N2O9
Molecular formula furigana： C34-H34-N2-O9
Molecular weight： 614.651
InChI： InChI=1S/C34H34N2O9/c1-4-5-12-36-32(27-11-10-25(41-2)16-29(27)43-19-21-8-6-7-9-26(21)34(39)40)24(18-35-36)14-23(33(37)38)13-22-15-30-31(45-20-44-30)17-28(22)42-3/h6-11,14-18H,4-5,12-13,19-20H2,1-3H3,(H,37,38)(H,39,40)/b23-14+
InChI key： MCHCGWZNXSZKJY-OEAKJJBVSA-N
SMILES： CCCCn1ncc(/C=C(\Cc2cc3OCOc3cc2OC)/C(=O)O)c1c1ccc(OC)cc1OCc1ccccc1C(=O)O
Systematic name  (3)：
  • (E)-2-[(6-メトキシ-1,3-ベンゾジオキソール-5-イル)メチル]-3-[1-ブチル-5-[2-[(2-カルボキシフェニル)メトキシ]-4-メトキシフェニル]-1H-ピラゾール-4-イル]アクリル酸
  • 2-[(2-{1-ブチル-4-[(1E)-2-カルボキシ-2-[(6-メトキシ-2H-1,3-ベンゾジオキソール-5-イル)メチル]エタ-1-エン-1-イル]-1H-ピラゾール-5-イル}-5-メトキシフェノキシ)メチル]安息香酸
  • 2-[(2-{1-butyl-4-[(1E)-2-carboxy-2-[(6-methoxy-2H-1,3-benzodioxol-5-yl)methyl]eth-1-en-1-yl]-1H-pyrazol-5-yl}-5-methoxyphenoxy)methyl]benzoic acid
Other name (2)：
  • SB-234551
  • (E)-2-[(6-Methoxy-1,3-benzodioxol-5-yl)methyl]-3-[1-butyl-5-[2-[(2-carboxyphenyl)methoxy]-4-methoxyphenyl]-1H-pyrazol-4-yl]acrylic acid
Application (2)：
endothelin antagonist ,  vasoactive drug
Thsaurus map：
Thesaurus Map

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