Ruxolitinib Phosphate

Analyte Name

Ruxolitinib Phosphate

CAS Number

1092939-17-7

Molecular Formula

C17 H18 N6 . H3 O4 P

Molecular Weight

404.36

Accurate Mass

404.1362

SMILES

OP(=O)(O)O.N#CC[C@H](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34

InChI

InChI=1S/C17H18N6.H3O4P/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;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m1./s1

IUPAC

(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;phosphoric acid

Alternate CAS Number

Free base: 941678-49-5

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ruxolitinib Phosphate

Purity

>95% (HPLC)