Chem
J-GLOBAL ID：201007053156699109   Nikkaji number：J2.888.161D

Elagolix

エラゴリックス
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： C32H30F5N3O5
Molecular formula furigana： C32-H30-F5-N3-O5
Molecular weight： 631.600
InChI： InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1
InChI key： HEAUOKZIVMZVQL-VWLOTQADSA-N
SMILES： COc1cccc(c1F)c1c(C)n(Cc2c(F)cccc2C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c2ccccc2)c1=O
Systematic name  (3)：
  • 4-[[(1R)-1-フェニル-2-[2,6-ジオキソ-3-[2-フルオロ-6-(トリフルオロメチル)ベンジル]-4-メチル-5-(2-フルオロ-3-メトキシフェニル)-1,2,3,6-テトラヒドロピリミジン-1-イル]エチル]アミノ]酪酸
  • 4-{[(1R)-2-[5-(2-フルオロ-3-メトキシフェニル)-3-{[2-フルオロ-6-(トリフルオロメチル)フェニル]メチル}-4-メチル-2,6-ジオキソ-1,2,3,6-テトラヒドロピリミジン-1-イル]-1-フェニルエチル]アミノ}ブタン酸
  • 4-{[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl]-1-phenylethyl]amino}butanoic acid
Other name (3)：
  • 4-[[(1R)-1-Phenyl-2-[2,6-dioxo-3-[2-fluoro-6-(trifluoromethyl)benzyl]-4-methyl-5-(2-fluoro-3-methoxyphenyl)-1,2,3,6-tetrahydropyrimidine-1-yl]ethyl]amino]butyric acid
  • エラゴリックス
  • Elagolix
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