Analyte Name

(2S,3R,5S)-Omarigliptin

CAS Number

1443380-88-8

Molecular Formula

C17 H20 F2 N4 O3 S

Molecular Weight

398.428

Accurate Mass

398.122

SMILES

CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]3CO[C@H]([C@H](N)C3)c4cc(F)ccc4F

InChI

InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m0/s1

IUPAC

(2S,3R,5S)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)oxan-3-amine

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat