Nombre del analito

Debutynyl-7-((4-methylquinazolin-2-yl)methyl) Linagliptin

Fórmula molecular

C31H32N10O2

Peso molecular

576.67

Masa exacta

576.27

SMILES

CC1=C(C=CC=C2)C2=NC(CN(C(N3C)=O)C(C4=C3N=C(N4CC5=NC6=C(C(C)=N5)C=CC=C6)N7CCC[C@H](C7)N)=O)=N1

InChI

InChI=1S/C31H32N10O2/c1-18-21-10-4-6-12-23(21)35-25(33-18)16-40-27-28(37-30(40)39-14-8-9-20(32)15-39)38(3)31(43)41(29(27)42)17-26-34-19(2)22-11-5-7-13-24(22)36-26/h4-7,10-13,20H,8-9,14-17,32H2,1-3H3/t20-/m1/s1

IUPAC

(R)-8-(3-aminopiperidin-1-yl)-3-methyl-1,7-bis((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione

País de origen

CANADA

Formato del producto

Neat