Chem
J-GLOBAL ID：200907012614088921   Nikkaji number：J2.556.467G

KB-2115

エプロチローム
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： C18H17Br2NO5
Molecular formula furigana： C18-H17-BR2-N-O5
Molecular weight： 487.144
InChI： InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25)
InChI key： VPCSYAVXDAUHLT-UHFFFAOYSA-N
SMILES： CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)ccc1O
Systematic name  (4)：
  • 3-[[3,5-ジブロモ-4-(4-ヒドロキシ-3-イソプロピルフェノキシ)フェニル]アミノ]-3-オキソプロパン酸
  • 2-[[4-(3-イソプロピル-4-ヒドロキシフェノキシ)-3,5-ジブロモフェニル]カルバモイル]酢酸
  • 2-({3,5-ジブロモ-4-[4-ヒドロキシ-3-(プロパン-2-イル)フェノキシ]フェニル}カルバモイル)酢酸
  • 2-({3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}carbamoyl)acetic acid
Other name (5)：
  • 3-[[3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenyl]amino]-3-oxopropanoic acid
  • KB-2115
  • 2-[[4-(3-Isopropyl-4-hydroxyphenoxy)-3,5-dibromophenyl]carbamoyl]acetic acid
  • エプロチローム
  • Eprotirome
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