14028-44-5
Product Name:
Amoxapine
Formula:
C17H16ClN3O
Synonyms:
2-Chloro-11-(1-piperazinyl)dibenz[b,f][1,4]oxazepine;Amoxapine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 175-176 |
| Solubility | 34.4 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 3.4 |
| Dissociation Constants | 8.71 |
| Collision Cross Section | 170.2 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2637 2600 2600 2646 2609.1 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 313.8 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 313.0981898 g/mol |
| Monoisotopic Mass | 313.0981898 g/mol |
| Topological Polar Surface Area | 36.9 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 424 |
| 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
Amoxapine is a dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position. It has a role as an antidepressant, an adrenergic uptake inhibitor, a dopaminergic antagonist, a serotonin uptake inhibitor and a geroprotector.