Analyte Name

1-Piperazin-N-oxide Ribociclib

CAS Number

2470164-21-5

Molecular Formula

C23H30N8O2

Molecular Weight

450.55

Accurate Mass

450.25

SMILES

O=C(C1=CC2=C(N=C(N=C2)NC3=NC=C(C=C3)N4(CCNCC4)=O)N1C5CCCC5)N(C)C

InChI

InChI=1S/C23H30N8O2/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)30(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)31(33)11-9-24-10-12-31/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)

IUPAC

1-(6-((7-cyclopentyl-6-(dimethylcarbamoyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine 1-oxide

Country of Origin

CANADA

Product Format

Neat