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Letrozole-[d4]

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General Information
Catalog: BLP-014010
CAS: 1133712-96-5
Molecular Formula: C17H7D4N5
Molecular Weight: 289.33

Chemical Structure

Description	Letrozole-[d4] is the labelled analogue of Letrozole, which is a nonsteroidal aromatase inhibitor structurally related to Fadrozole.
Synonyms	Letrozole-d4; 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bisbenzonitrile-d4; 4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile-d4; CGS 20267-d4; Femara-d4; Lerozole-d4; Letrazole-d4
IUPAC Name	4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]-2,3,5,6-tetradeuteriobenzonitrile
Related CAS	112809-51-5 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3
InChI	InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H/i1D,2D,5D,6D
InChI Key	HPJKCIUCZWXJDR-NMRLXUNGSA-N
Melting Point	178-181°C
Purity	≥95%
Solubility	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance	Off-White to Yellowish Orange Solid
Storage	Store at -20°C