Analyte Name

Pradigastat Sodium

CAS Number

956136-98-4

Molecular Formula

C25 H23 F3 N3 O2 . Na

Molecular Weight

477.454

Accurate Mass

477.164

SMILES

[Na+].[O-]C(=O)C[C@@H]1CC[C@H](CC1)c2ccc(cc2)c3ccc(Nc4ccc(nc4)C(F)(F)F)cn3

InChI

InChI=1S/C25H24F3N3O2.Na/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33;/h5-12,14-17,31H,1-4,13H2,(H,32,33);/q;+1/p-1/t16-,17-;

IUPAC

sodium;2-[4-[4-[5-[[6-(trifluoromethyl)pyridin-3-yl]amino]pyridin-2-yl]phenyl]cyclohexyl]acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat