CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Pale yellowish crystals from petroleum ether |
| Melting Point | 109-111 °C |
| Solubility | 1.03e-01 g/L |
| LogP | 3.6 |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride/ and nitroxides. |
| Dissociation Constants | 7.48 |
| Collision Cross Section | 175.7 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2542 2577.2 2542 2530 |
COMPUTED DESCRIPTORS
| Molecular Weight | 327.8 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 327.1138399 g/mol |
| Monoisotopic Mass | 327.1138399 g/mol |
| Topological Polar Surface Area | 28.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 450 |
| 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
Loxapine is a dibenzooxazepine. It has a role as an antipsychotic agent and a dopaminergic antagonist.