Analytenname

Baricitinib Ethyl-d5

CAS-Nummer

1564241-79-7

Molekularformel

C16H12D5N7O2S

Molekulargewicht

376.45

Genaue Masse

376.1478

SMILES

C(C#N)C1(CN(S(C(C([2H])([2H])[2H])([2H])[2H])(=O)=O)C1)N2C=C(C=N2)C3=C4C(=NC=N3)NC=C4

InChI

InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)/i1D3,2D2

IUPAC

2-[1-(1,1,2,2,2-pentadeuterioethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile

Nicht gekennzeichnete CAS-Nummer

1187594-09-7

SIL-Typ

Deuterium

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Stable Isotope Labelled

Produktformat

Neat