Hydroxy Methyl Butenyl Linagliptin

Nazwa analitu

Hydroxy Methyl Butenyl Linagliptin

Wzór cząsteczkowy

C26 H32 N8 O3

Masa cząsteczkowa

504.58408

Dokładna masa

504.2597

SMILES

C/C(CO)=C\CN(C(N1CCC[C@@H](N)C1)=N2)C3=C2N(C)C(N(C3=O)CC4=NC5=CC=CC=C5C(C)=N4)=O

InChI

InChI=1S/C26H32N8O3/c1-16(15-35)10-12-33-22-23(30-25(33)32-11-6-7-18(27)13-32)31(3)26(37)34(24(22)36)14-21-28-17(2)19-8-4-5-9-20(19)29-21/h4-5,8-10,18,35H,6-7,11-15,27H2,1-3H3/b16-10+/t18-/m1/s1

IUPAC

8-[(3R)-3-amino-1-piperidyl]-7-[(E)-4-hydroxy-3-methyl-but-2-enyl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione

Kraj pochodzenia

CANADA

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