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 |
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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 |
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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 |
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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.