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 |
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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 |
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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 |
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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.