CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 172-174 °C @ 0.02 MM HG |
| Melting Point | 214-218 °C |
| Solubility | 58.6 mg/L (at 24 °C) |
| LogP | 4.9 |
| LogS | -3.66 |
| Stability/Shelf Life | UNSTABLE AFTER LONG EXPOSURE TO LIGHT, HEAT, & AIR /HYDROGEN CHLORIDE/ |
| Decomposition | When heated to decomposition it emits toxic fumes of nitroxides. |
| Caco2 Permeability | -4.67 |
| Dissociation Constants | 10.16 |
| Collision Cross Section | 163.3 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2242 2217 2217 2200 2235 2235 2241 2220 2242 2237.5 2231.1 2200 2255 2242 2248.7 2254.4 2236 2236 2256.5 |
COMPUTED DESCRIPTORS
| Molecular Weight | 266.4 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 266.178298710 g/mol |
| Monoisotopic Mass | 266.178298710 g/mol |
| Topological Polar Surface Area | 15.3 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 267 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Desipramine is a dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group. It has a role as an adrenergic uptake inhibitor, a serotonin uptake inhibitor, a cholinergic antagonist, an alpha-adrenergic antagonist, a H1-receptor antagonist, an EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, an antidepressant and a drug allergen. It is a dibenzoazepine and a secondary amino compound.