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Nordoxepin-[d3] Hydrochloride

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General Information
Catalog: BLP-013066
CAS: 1331665-54-3
Molecular Formula: C13H16D3NO.HCl
Molecular Weight: 304.83

Chemical Structure

Description	Nordoxepin-[d3] Hydrochloride is the labelled analogue of Nordoxepin Hydrochloride, which is a metabolite of Doxepin. Doxepin is a tricyclic antidepressant used to treat major depressive disorder.
Synonyms	Nordoxepin D3 Hydrochloride; 3-(Dibenz[b,e]oxepin-11(6H)-ylidene)-N-(methyl-d3)-1-propanamine Hydrochloride; ∆11(6H),γ-[3-(Methylamino-d3)propylidene]dibenz[b,e]oxepine Hydrochloride; Desmethyldoxepine-d3 Hydrochloride; N-Desmethyldoxepin-d3 Hydrochloride; Nor Doxepin-d3 Hydrochloride
IUPAC Name	(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-(trideuteriomethyl)propan-1-amine;hydrochloride
Related CAS	2887-91-4 (unlabelled) 1331822-25-3 (free base) 1225-56-5 (unlabelled free base)
Canonical SMILES	CNCCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl
InChI	InChI=1S/C18H19NO.ClH/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18;/h2-5,7-11,19H,6,12-13H2,1H3;1H/b16-10+;/i1D3;
InChI Key	GNPPEZGJRSOKRE-KJVDRLPBSA-N
Melting Point	>167°C (dec.)
Purity	98% by HPLC; 99% atom D
Solubility	Soluble in Methanol (Slightly)
Appearance	Off-white to Pale Brown Solid
Storage	Store at -20°C