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CAS 832720-36-2

:

sodium 4-[[(1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoate

Description:
Sodium 4-[[[1R)-2-[5-(2-fluoro-3-methoxy-phenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxo-pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoate, identified by CAS number 832720-36-2, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as amines, carboxylates, and aromatic rings. This compound is typically a sodium salt, indicating its solubility in water and potential use in biological systems. The presence of fluorine atoms suggests enhanced lipophilicity and potential bioactivity, making it of interest in pharmaceutical applications. Its pyrimidine core may contribute to its biological activity, possibly as an enzyme inhibitor or in other therapeutic roles. The methoxy and trifluoromethyl substituents can influence the compound's electronic properties and reactivity. Overall, this substance is likely to exhibit specific pharmacological properties, which would require further investigation through experimental studies to elucidate its mechanism of action and potential therapeutic uses.
Formula:C32H29F5N3NaO5
InChI:InChI=1/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:DQYGXRQUFSRDCH-UQIIZPHYSA-M
SMILES:Cc1c(c2cccc(c2F)OC)c(=O)n(CC(c2ccccc2)NCCCC(=O)O)c(=O)n1Cc1c(cccc1F)C(F)(F)F.[Na]
Synonyms:
  • Elagolix sodium
  • Nbi 56418Na
Found 13 products.