Analyte Name

Anastrozole Diamide-d12

Molecular Formula

C17 D12 H11 N5 O2

Molecular Weight

341.471

Accurate Mass

341.26

SMILES

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

InChI

InChI=1S/C17H23N5O2/c1-16(2,14(18)23)12-5-11(8-22-10-20-9-21-22)6-13(7-12)17(3,4)15(19)24/h5-7,9-10H,8H2,1-4H3,(H2,18,23)(H2,19,24)/i1D3,2D3,3D3,4D3

IUPAC

2-[3-(2-carbamoyl-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat