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Hexamidine-[d12]

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General Information
Catalog: BLP-012682
CAS: 1286461-12-8
Molecular Formula: C20H14D12N4O2
Molecular Weight: 439.44

Chemical Structure

Description	Hexamidine-[d12] is a labelled amidine compound used in the treatment of amyloid-related diseases.
Synonyms	Hexamidine-d12 Dihydrochloride; 4,4'-[1,6-(Hexane-d12)diylbis(oxy)]bisbenzenecarboximidamide Hydrochloride
IUPAC Name	4-[6-(4-carbamimidoylphenoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuteriohexoxy]benzenecarboximidamide
Related CAS	50357-46-5 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N
InChI	InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)/i1D2,2D2,3D2,4D2,13D2,14D2
InChI Key	OQLKNTOKMBVBKV-DDYHUIDZSA-N
Melting Point	250-253°C
Purity	95% by HPLC; 95% atom D
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C, under inert atmosphere