1229-29-4
Product Name:
Doxepin hydrochloride
Formula:
C19H22ClNO
Synonyms:
11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz[b,e]oxepine hydrochloride
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 163.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 315.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 315.1389920 g/mol |
| Monoisotopic Mass | 315.1389920 g/mol |
| Topological Polar Surface Area | 12.5 Ų |
| Heavy Atom Count | 22 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Doxepin Hydrochloride is a dibenzooxazepine.