Analyte Name

alpha-Desmethyl Anastrozole-d3

CAS Number

1346601-01-1

Molecular Formula

C16 D3 H14 N5

Molecular Weight

282.358

Accurate Mass

282.167

SMILES

[2H]C([2H])([2H])C(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N

InChI

InChI=1S/C16H17N5/c1-12(7-17)14-4-13(8-21-11-19-10-20-21)5-15(6-14)16(2,3)9-18/h4-6,10-12H,8H2,1-3H3/i1D3

IUPAC

2-[3-(1-cyano-2,2,2-trideuterioethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat