2-Descyano-2-ethyl Formyl-tofacitinib

Analyte Name

2-Descyano-2-ethyl Formyl-tofacitinib

CAS Number

1675248-18-6

Molecular Formula

C18 H25 N5 O3

Molecular Weight

359.423

Accurate Mass

359.196

SMILES

CCOC(=O)CC(=O)N1CC[C@@H](C)[C@H](C1)N(C)c2ncnc3[nH]ccc23

InChI

InChI=1S/C18H25N5O3/c1-4-26-16(25)9-15(24)23-8-6-12(2)14(10-23)22(3)18-13-5-7-19-17(13)20-11-21-18/h5,7,11-12,14H,4,6,8-10H2,1-3H3,(H,19,20,21)/t12-,14+/m1/s1

IUPAC

ethyl 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Tofacitinib

Purity

>95% (HPLC)