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Chemical structure of Nordoxepin D3 hydrochloride

GC61137

Nordoxepin D3 hydrochloride

Also known as (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-(trideuteriomethyl)propan-1-amine;hydrochloride

Nordoxepin D3 hydrochloride (Desmethyldoxepin D3 hydrochloride) is the deuterium labeled Nordoxepin hydrochloride

ChemicalCAS1331665-54-3MW304.83FormulaC18H17D3ClNO
CAS number
1331665-54-3
Molecular weight
304.83
Formula
C18H17D3ClNO
InChIKey
GNPPEZGJRSOKRE-KJVDRLPBSA-N
Catalogue number
GC61137
Brand
GLPBIO
Computed properties PubChem CID 71751180 · TPSA 21.3 Ų · H-bond donors 2 · H-bond acceptors 2
TPSA
21.3 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21

SMILES [2H]C([2H])([2H])NCC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31.Cl

Computed descriptors from PubChem (CID 71751180), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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