CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | OILY LIQUID CONSISTING OF A MIXTURE OF CIS- & TRANS- ISOMERS |
|---|---|
| Odor | ODORLESS |
| Taste | BITTER |
| Boiling Point | 154-157 °C @ 0.03 MM HG |
| Melting Point | Crystals, melting point 184 to 186 °C, 188 to 189 °C (a cis-trans mixture of approx 1:5) /HYDROCHLORIDE/ |
| Solubility | WHITE CRYSTALLINE SUBSTANCE; 1 G SOL IN 1 ML WATER, 2 ML ALCOHOL, 10 ML CHLOROFORM /HYDROCHLORIDE/ |
| LogP | log Kow = 0.67 |
| Stability/Shelf Life | DECOMP SLOWLY IN LIGHT, NONHYGROSCOPIC UP TO 75% RELATIVE HUMIDITY, RELATIVELY STABLE IN HEAT /HYDROCHLORIDE/ |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| Dissociation Constants | 9 |
| Other Experimental Properties | White crystalline solid, readily soluble in water, lower alcohols, and chloroform. /DOXEPIN HYDROCHLORIDE/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 279.4 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 279.162314293 g/mol |
| Monoisotopic Mass | 279.162314293 g/mol |
| Topological Polar Surface Area | 12.5 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 363 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Doxepin is a tricyclic antidepressant that widely used in the therapy of depression. Doxepin can cause mild and transient serum enzyme elevations but is a rare cause of clinically apparent acute cholestatic liver injury.