Nazwa analitu

Abemaciclib Nitroso Metabolites M2

Wzór cząsteczkowy

C25H27F2N9O

Masa cząsteczkowa

507.55

SMILES

O=NN1CCN(CC2=CN=C(NC3=NC=C(F)C(C4=CC5=C(N=C(C)N5C(C)C)C(F)=C4)=N3)C=C2)CC1

InChI

InChI=1S/C25H27F2N9O/c1-15(2)36-16(3)30-24-19(26)10-18(11-21(24)36)23-20(27)13-29-25(32-23)31-22-5-4-17(12-28-22)14-34-6-8-35(33-37)9-7-34/h4-5,10-13,15H,6-9,14H2,1-3H3,(H,28,29,31,32)

IUPAC

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-[(4-nitrosopiperazin-1-yl)methyl]pyridin-2-yl]pyrimidin-2-amine

Kraj pochodzenia

CANADA

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