Nome dell'analita

Sitagliptin Triazecine analog

Numero CAS

2805078-75-3

Formula molecolare

C16 H13 F6 N5 O2

Peso molecolare

421.30

Massa accurata

421.097

SMILES

Fc1cc(F)c(CC2CC(=O)NCCn3c(nnc3C(F)(F)F)C(=O)N2)cc1F

InChI

InChI=1S/C16H13F6N5O2/c17-9-6-11(19)10(18)4-7(9)3-8-5-12(28)23-1-2-27-13(14(29)24-8)25-26-15(27)16(20,21)22/h4,6,8H,1-3,5H2,(H,23,28)(H,24,29)

IUPAC

3-(trifluoromethyl)-10-[(2,4,5-trifluorophenyl)methyl]-5,6,7,9,10,11-hexahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12-dione

CAS alternativo

(10R)-isomer: 2088771-61-1

Paese di origine

CANADA

Codice tariffario

29339980