(−)-trans-4R-(4'-fluorophenyl)-3S-((3',4'-methylenedioxyphenoxy)methyl)piperidine
- CAS:
- Other names: paroxetine
- SMILES: FC1=CC=C([C@H]2[C@H](COC3=CC(OCO4)=C4C=C3)CNCC2)C=C1
Properties
| MW |
HBA |
HBD |
LogP |
TPSA |
Rot. |
Comp. |
Fsp3C |
Brutto formula |
| 329.37 |
4 |
1 |
3.66 |
39.72 |
4 |
95 |
0.37 |
C19H20FNO3 |
Availability
| Suppliers |
Supplier IDs |
Storage |
Storage ID |
Quantity |
Class |
Added |
|
|
|
SF_C957 |
None |
|
Jan. 1, 2023 |
Bar codes
| Plate barcode |
Sample barcode |
|
|
PAINS
| Identified PAINS |
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
| [b-Cyclodextrin](1).[(−)-trans-4R-(4'-fluorophenyl)-3S-((3',4'-methylenedioxyphenoxy)methyl)piperidine] |
3.42 |
2.70 |
7.0 |
20.0 |
NMR spectroscopy |
Andrea Bernini 2004 |
| [b-Cyclodextrin](1).[(−)-trans-4R-(4'-fluorophenyl)-3S-((3',4'-methylenedioxyphenoxy)methyl)piperidine] |
3.31 |
2.66 |
7.0 |
27.0 |
NMR spectroscopy |
Andrea Bernini 2004 |