Tofacitinib Related Compound 26 Hydrochloric Acid Salt

Analyte Name

Tofacitinib Related Compound 26 Hydrochloric Acid Salt

CAS Number

1206824-85-2

Molecular Formula

C10H17N3O • (HCl)

Molecular Weight

231.72

Accurate Mass

231.12

SMILES

O=C(CC#N)N1CC[C@@H](C)[C@@H](NC)C1.Cl

InChI

InChI=1S/C10H17N3O.ClH/c1-8-4-6-13(7-9(8)12-2)10(14)3-5-11;/h8-9,12H,3-4,6-7H2,1-2H3;1H/t8-,9+;/m1./s1

IUPAC

3-((3R,4R)-4-methyl-3-(methylamino)piperidin-1-yl)-3-oxopropanenitrile hydrochloride

Alternate CAS Number

Free Base: 1629858-78-11206875-42-4 (Rel. Stereochem.)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat