Analyte Name

N-Nitrosopalbociclib

CAS Number

2955712-44-2

Molecular Formula

C24H28N8O3

Molecular Weight

476.54

Accurate Mass

476.23

SMILES

O=C1C(C(C)=O)=C(C2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCN(N=O)CC5)C

InChI

InChI=1S/C24H28N8O3/c1-15-19-14-26-24(27-20-8-7-18(13-25-20)30-9-11-31(29-35)12-10-30)28-22(19)32(17-5-3-4-6-17)23(34)21(15)16(2)33/h7-8,13-14,17H,3-6,9-12H2,1-2H3,(H,25,26,27,28)

IUPAC

6-acetyl-8-cyclopentyl-5-methyl-2-((5-(4-nitrosopiperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Palbociclib

Analytical Method

HPLC