Elagolix Sodium

CAS: 832720-36-2

Ref. TR-E501018

Product Information

• Name: Elagolix Sodium
• Synonyms: Butanoic acid, 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-, sodium salt (1:1), Butanoic acid, 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-, monosodium salt (9CI), NBI 56418NA, 4-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]butanoic acid sodium salt, (R)-4-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)amino)butanoic acid sodium salt
• Brand: TRC
• Description: Applications Elagolix Sodium is a novel uracil phenylethylamine that acts as potent human gonadotropin-​releasing hormone receptor (hGnRH-​R) antagonist.References Chen, C. et al.: J. Med. Chem., 51, 7478 (2008)

Chemical properties

• Molecular weight: 653.57
• Formula: C₃₂H₂₉F₅N₃O₅·Na
• Color/Form: Neat
• InChI: InChI=1S/C32H30F5N3O5.Na/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);/q;+1/p-1/t25-;/m0./s1
• InChI key: InChIKey=DQYGXRQUFSRDCH-UQIIZPHYSA-M
• SMILES: COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O[Na])c3ccccc3)c2=O)c1F