Elagolix Sodium

Analyte Name

Elagolix Sodium

CAS Number

832720-36-2

Molecular Formula

C32 H29 F5 N3 O5 . Na

Molecular Weight

653.57

Accurate Mass

653.1925

SMILES

[Na+].COc1cccc(C2=C(C)N(Cc3c(F)cccc3C(F)(F)F)C(=O)N(C[C@H](NCCCC(=O)[O-])c4ccccc4)C2=O)c1F

InChI

InChI=1S/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

IUPAC

sodium;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]butanoate

Alternate CAS Number

834153-87-6

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Elagolix Sodium

Purity

>95% (HPLC)