Analyte Name

O-Ethyl Elagolix Methoxy-d3

CAS Number

2233595-40-7

Molecular Formula

C34 D3 H31 F5 N3 O5

Molecular Weight

662.661

Accurate Mass

662.261

SMILES

[2H]C([2H])([2H])Oc1cccc(C2=C(C)N(Cc3c(F)cccc3C(F)(F)F)C(=O)N(C[C@H](NCCCC(=O)OCC)c4ccccc4)C2=O)c1F

InChI

InChI=1S/C34H34F5N3O5/c1-4-47-29(43)17-10-18-40-27(22-11-6-5-7-12-22)20-42-32(44)30(23-13-8-16-28(46-3)31(23)36)21(2)41(33(42)45)19-24-25(34(37,38)39)14-9-15-26(24)35/h5-9,11-16,27,40H,4,10,17-20H2,1-3H3/t27-/m0/s1/i3D3

IUPAC

ethyl 4-[[(1R)-2-[5-[2-fluoro-3-(trideuteriomethoxy)phenyl]-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat