Analyte Name

Despropanesulfonyl Abrocitinib

CAS Number

1622980-99-7

Molecular Formula

C11H15N5

Molecular Weight

217.28

Accurate Mass

217.1327

SMILES

CN([C@H]1C[C@H](C1)N)C2=C3C(NC=C3)=NC=N2

InChI

InChI=1S/C11H15N5/c1-16(8-4-7(12)5-8)11-9-2-3-13-10(9)14-6-15-11/h2-3,6-8H,4-5,12H2,1H3,(H,13,14,15)/t7-,8+

IUPAC

(1s,3s)-N1-methyl-N1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutane-1,3-diamine

Alternate CAS Number

Hydrochloride Salt: 1622903-13-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat