Analyte Name

Oclacitinib Sulfonic Acid Potassium

CAS Number

2124221-14-1

Molecular Formula

C14 H20 N4 O3 S . K

Molecular Weight

363.5

Accurate Mass

363.09

SMILES

N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CC[C@H](CS(=O)(=O)O)CC3.[K]

InChI

InChI=1/C14H20N4O3S.K/c1-18(14-12-6-7-15-13(12)16-9-17-14)11-4-2-10(3-5-11)8-22(19,20)21;/h6-7,9-11H,2-5,8H2,1H3,(H,15,16,17)(H,19,20,21);/t10-,11-;

IUPAC

((1r,4r)-4-(Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)methanesulfonic Acid, potassium

Country of Origin

CANADA

Product Format

Neat