Analyte Name

rac-Ruxolitinib-13C,15N2

Molecular Formula

C16 13C H18 N4 15N2

Molecular Weight

309.34

Accurate Mass

309.1567

SMILES

N#CCC(C1CCCC1)N(N=C2)C=C2C3=[15N][13CH]=[15N]C4=C3C=CN4

InChI

InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/i11+1,20+1,21+1

IUPAC

3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl-2-13C-1,3-15N2)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile

Unlabelled CAS Number

941688-05-7

SIL Type

Carbon, Nitrogen

Country of Origin

CANADA

Product Format

Neat