Analyte Name

4-Demethyl-4-(2,2-dimethyl-4-oxopentyl)-Elagolix Hydrochloride

Molecular Formula

C38 H40 F5 N3 O6 . H Cl

Molecular Weight

766.194

Accurate Mass

765.26

SMILES

Cl.COc1cccc(C2=C(CC(C)(C)CC(=O)C)N(Cc3c(F)cccc3C(F)(F)F)C(=O)N(C[C@H](NCCCC(=O)O)c4ccccc4)C2=O)c1F

InChI

InChI=1S/C38H40F5N3O6.ClH/c1-23(47)19-37(2,3)20-30-33(25-13-8-16-31(52-4)34(25)40)35(50)46(22-29(24-11-6-5-7-12-24)44-18-10-17-32(48)49)36(51)45(30)21-26-27(38(41,42)43)14-9-15-28(26)39;/h5-9,11-16,29,44H,10,17-22H2,1-4H3,(H,48,49);1H/t29-;/m0./s1

IUPAC

4-[[(1R)-2-[4-(2,2-dimethyl-4-oxopentyl)-5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid;hydrochloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat