DoxepinRelatedCompoundC , UnitedStatesPharmacopeia(USP)ReferenceStandard , 4504-96-5

Synonym(s):
(3E)-3-Dibenz[b,e]oxepin-11(6H)-ylidene-N-methylpropan-1-amine hydrochloride;N-Desmethyl (E)-doxepin hydrochloride

CAS NO.：4504-96-5

Empirical Formula: C18H20ClNO

Molecular Weight: 301.81

MDL number:

PRODUCT Properties

• Melting point: 225-226.5 °C
• storage temp.: Store at room temperature
• Appearance: Off-white to light yellow Solid
• Major Application: pharmaceutical (small molecule)
• 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+
• InChIKey: GNPPEZGJRSOKRE-QFHYWFJHSA-N
• SMILES: Cl.N(CC\C=C1\c2c(cccc2)OCc3c\1cccc3)C

Description and Uses

N-Desmethyl (E)-Doxepin Hydrochloride is an impurity of Doxepin Hydrochloride (D550000) used clinically to treat anxiety and depression. Doxepin is an antidepressant.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H301
• Precautionary statements: P264-P270-P301+P310-P405-P501
• WGK Germany: WGK 3
• Storage Class: 6.1C - Combustible acute toxic Cat.3; toxic compounds or compounds which causing chronic effects
• Hazard Classifications: Acute Tox. 3 Oral