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Anastrozole-[d12]

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General Information
Catalog: BLP-014000
CAS: 120512-32-5
Molecular Formula: C17H7D12N5
Molecular Weight: 305.45

Chemical Structure

Description	Anastrozole-[d12] is the labelled analogue of Anastrozole, which is a medication used for breast cancer therapy.
Synonyms	Anastrozole-d12; α1,α1,α3,α3-(Tetramethyl-d12)-5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-benzenediacetonitrile; 2-[3-(2-Cyano-2-propyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropiononitrile-d12; Anastrol-d12; Arimidex-d12; ZD1033-d12
IUPAC Name	2-[3-(2-cyano-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile
Related CAS	120511-73-1 (unlabelled)
Canonical SMILES	CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N
InChI	InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3/i1D3,2D3,3D3,4D3
InChI Key	YBBLVLTVTVSKRW-MGKWXGLJSA-N
Melting Point	83-85 °C
Purity	≥98%; ≥99% atom D
Solubility	Soluble in Chloroform (Slightly), Ethyl Acetate, Methanol (Slightly)
Appearance	Pale Yellow Solid
Storage	Store at -20°C