CAS 1185016-59-4

Formula: C15H17BrN2

InChI: InChI=1S/C15H17BrN2/c1-14(2,9-17)12-5-11(8-16)6-13(7-12)15(3,4)10-18/h5-7H,8H2,1-4H3/i1D3,2D3,3D3,4D3

InChI key: IHXHGCDOJLOZML-MGKWXGLJSA-N

SMILES: [2H]C([2H])([2H])C(C#N)(C1=CC(=CC(=C1)CBr)C(C#N)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]

Alpha,Alpha,Alpha’,Alpha’-(Tetramethyl-d12)-5-bromomethyl-1,3-benzenediacetonitrile

Controlled Product

CAS: 1185016-59-4

Applications A labelled impurity of Anastrozole (A637425) (labelled impurity D).
References Ge, Z., et al.: J. Med. Chem., 13, 146 (2003),

Formula: C₁₅H₅D₁₂BrN₂

Color and Shape: Neat

Molecular weight: 317.29

Ref: TR-T291492