DoxepinRelatedCompoundB , UnitedStatesPharmacopeia(USP)ReferenceStandard , 4504-88-5

CAS NO.：4504-88-5

Empirical Formula: C19H23NO2

Molecular Weight: 297.39

MDL number:

EINECS: 224-821-0

PRODUCT Properties

• Melting point: 114 - 118°C
• Boiling point: 439.2±45.0 °C(Predicted)
• Density: 1.123±0.06 g/cm3(Predicted)
• storage temp.: Refrigerator, under inert atmosphere
• solubility: Acetonitrile (Slightly), Chloroform (Slightly)
• form: Solid
• pka: 13.58±0.20(Predicted)
• color: White to Pale Yellow
• Major Application: pharmaceutical (small molecule)
• InChI: 1S/C19H23NO2/c1-20(2)13-7-12-19(21)16-9-4-3-8-15(16)14-22-18-11-6-5-10-17(18)19/h3-6,8-11,21H,7,12-14H2,1-2H3
• InChIKey: ZEKLFUWSVQYTOO-UHFFFAOYSA-N
• SMILES: N(CCCC1(c2c(cccc2)OCc3c1cccc3)O)(C)C

Description and Uses

11-[3-(Dimethylamino)propyl]-6,11-dihydrocibenz[b,e]oxepin-11-ol is an impurity in the synthesis of Doxepin (D550000), used clinically to treat anxiety and depression. Doxepin is an antidepressant.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P264-P270-P301+P312-P330-P501
• WGK Germany: WGK 3
• HS Code: 2932996560
• Storage Class: 11 - Combustible Solids
• REACH Registrations: Active