Products 1062642-68-5

CAS 1062642-68-5 appears in our catalog under these names: Elagolix Impurity 27, Elagolix Impurity 25. Offered by: Chemat Brand. Available pack sizes: on request.

Elagolix Impurity 27
Chemat Brand
  • size: on request
  • Variants: 1
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Elagolix Impurity 25
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

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 (CAS 1062642-68-5) is a chemical compound with the molecular formula C32H30F5N3O5 and a molecular weight of 631.6 g/mol. IUPAC name: 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. InChIKey: SOEZKYFWNCRHKZ-DEOSSOPVSA-N.

Identity
Molecular formulaC32H30F5N3O5
Molecular weight631.6 g/mol
IUPAC nametert-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
InChIKeySOEZKYFWNCRHKZ-DEOSSOPVSA-N
SMILESCC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C[C@@H](C3=CC=CC=C3)NC(=O)OC(C)(C)C)C4=C(C(=CC=C4)O)F

Computed by PubChem (NCBI)

Isomers (same molecular formula)
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 C32H30F5N3O5
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