Name: Nordoxepin-D3 hydrochloride
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HIT ID:HIT218701062
Cas No:1331665-54-3
Common Name:Nordoxepin-D3 hydrochloride
alias:Desmethyldoxepin-d3 hydrochloride
IUPAC:(2H3)methyl(3-{9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}propyl)amine hydrochloride
IUPAC:(2H3)methyl(3-{9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}propyl)amine hydrochloride
InChIKey:GNPPEZGJRSOKRE-NIIDSAIPSA-N

Molecular Formula:C18H20ClNO
Molecular Weight:304.83
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:Cl.[2H]C([2H])([2H])NCCC=C1c2ccccc2COc2ccccc12
SMILES:Cl.[2H]C([2H])([2H])NCCC=C1c2ccccc2COc2ccccc12

Nordoxepin-D3 hydrochloride is a deuterium-labeled analogue of Nordoxepin, the major active metabolite of the tricyclic antidepressant doxepin. Nordoxepin-D3 hydrochloride is used as an internal standard in LC-MS/MS and GC/MS applications for bioequivalence studies, clinical toxicology, and forensic urine drug testing to quantify metabolite levels.

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