Elagolix Impurity 45(S-Elagolix)

cas: 2409132-65-4 — see every product listed under this CAS number, including other names

Elagolix Impurity 45(S-Elagolix) (CAS 2409132-65-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-E120145
cas2409132-65-4
sizeon request
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4-[[(1S)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid (CAS 2409132-65-4) is a chemical compound with the molecular formula C32H30F5N3O5 and a molecular weight of 631.6 g/mol. IUPAC name: 4-[[(1S)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid. InChIKey: HEAUOKZIVMZVQL-RUZDIDTESA-N.

Identity
Molecular formulaC32H30F5N3O5
Molecular weight631.6 g/mol
IUPAC name4-[[(1S)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
InChIKeyHEAUOKZIVMZVQL-RUZDIDTESA-N
SMILESCC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C[C@H](C3=CC=CC=C3)NCCCC(=O)O)C4=C(C(=CC=C4)OC)F

Computed by PubChem (NCBI)

Synonyms: (S)-ELAGOLIX, ELAGOLIX (S)-ENANTIOMER, ELAGOLIX, (S)-, HEAUOKZIVMZVQL-RUZDIDTESA-N, Elagolix Impurity 45(S-Elagolix)
Related forms of this compound
4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid C32H30F5N3O5
Isomers (same molecular formula)
tert-butyl N-[(1R)-2-[5-(2-fluoro-3-hydroxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]carbamate C32H30F5N3O5

Also listed as

(S)-4-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)-1-phenylethyl)amino)butanoic acid, 98% Chemat Brand CAS 2409132-65-4