Analyte Name

6-[2-(3-fluorophenyl)ethynyl]-N-(2,2,3,3,4,4-hexadeuteriocyclobutyl)pyridine-3-carboxamide hydrochloride

Molecular Formula

C18 D6 H9 F N2 O . H Cl

Molecular Weight

336.821

Accurate Mass

336.131

SMILES

Cl.[2H]C1([2H])C(NC(=O)c2ccc(nc2)C#Cc3cccc(F)c3)C([2H])([2H])C1([2H])[2H]

InChI

InChI=1S/C18H15FN2O.ClH/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17;/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22);1H/i2D2,5D2,6D2;

IUPAC

6-[2-(3-fluorophenyl)ethynyl]-N-(2,2,3,3,4,4-hexadeuteriocyclobutyl)pyridine-3-carboxamide;hydrochloride

Unlabelled CAS Number

1309976-62-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat