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Product Overview

Product Code

TRC-S498910

Product Format

Neat

Molecular Formula

C16 H11 F6 N5 O

Molecular Weight

403.282

Product Categories

TRC

Product Information

Chemical Data

Analyte Name

Sitagliptin Pyrazino[1,2-a]pyrimidin-8(6H)-one

Molecular Formula

C16 H11 F6 N5 O

Molecular Weight

403.282

Accurate Mass

403.087

SMILES

Fc1cc(F)c(CC2CC(=O)N3CCn4c(nnc4C(F)(F)F)C3=N2)cc1F

InChI

InChI=1S/C16H11F6N5O/c17-9-6-11(19)10(18)4-7(9)3-8-5-12(28)26-1-2-27-14(13(26)23-8)24-25-15(27)16(20,21)22/h4,6,8H,1-3,5H2

IUPAC

5-(trifluoromethyl)-12-[(2,4,5-trifluorophenyl)methyl]-3,4,6,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4-trien-10-one

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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