138112-76-2
Product Name:
Agomelatine
Formula:
C15H17NO2
Synonyms:
N-[2-(7-Methoxy-1-naphthalenyl)ethyl]-acetamide;S-20098
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Solubility | ~0.5 mg/ml in 1:1 EtOH:PBS (pH 7.2); ~30 mg/ml in EtOH, DMF & DMSO |
| Collision Cross Section | 156.3 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Environment GHS09 |
| GHS Hazard Statements |
H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 243.30 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 243.125928785 g/mol |
| Monoisotopic Mass | 243.125928785 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 280 |
| 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
Agomelatine is a member of acetamides.