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Anastrozole Dimer Impurity-[d3]

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General Information
Catalog: BLP-013724
CAS: 1329809-14-4
Molecular Formula: C30H28D3N9
Molecular Weight: 520.65

Chemical Structure

Description	Anastrozole Dimer Impurity-[d3] is the labelled analogue of Anastrozole Dimer Impurity, which is an impurity of Anastrozole.
Synonyms	Anastrozole-d3 Dimer Impurity; 2,3-Bis[3-(1-cyano-1-(methyl-d3)ethyl)-5-(1H,1,2,3-triazole-1-ylmethyl)phenyl]-2-methylpropionitrile; Anastrozole EP Impurity B-d3; Anastrozole USP Related Compound C-d3
IUPAC Name	2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-[[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,3,3-trideuteriopropanenitrile
Related CAS	1216898-82-6 (unlabelled)
Canonical SMILES	CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)CC(C)(C#N)C3=CC(=CC(=C3)C(C)(C)C#N)CN4C=NC=N4
InChI	InChI=1S/C30H31N9/c1-28(2,15-31)25-7-22(6-23(8-25)13-38-20-34-18-36-38)12-30(5,17-33)27-10-24(14-39-21-35-19-37-39)9-26(11-27)29(3,4)16-32/h6-11,18-21H,12-14H2,1-5H3/i5D3
InChI Key	XOBTYKNGXUMRQU-VPYROQPTSA-N
Purity	≥98%
Solubility	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance	White Solid
Storage	Store at 2-8°C under inert atmosphere