| Synonyms: | |
| Status: | Approved (1974) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | R06AA10 |
| UNII: | W2X096QY97 |
Structure
| InChI Key | FEZBIKUBAYAZIU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H28N2O5 |
| Molecular Weight | 388.46 |
| AlogP | 2.58 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 69.26 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 28.0 |
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 138-56-7 |
| ChEBI | 27796 |
| ChEMBL | CHEMBL1201256 |
| DrugBank | DB00662 |
| DrugCentral | 2754 |
| EPA CompTox | DTXSID8023711 |
| FDA SRS | W2X096QY97 |
| Human Metabolome Database | HMDB0014800 |
| Guide to Pharmacology | 7614 |
| KEGG | C07178 |
| PharmGKB | PA164764516 |
| PubChem | 5577 |
| SureChEMBL | SCHEMBL28858 |
| ZINC | ZINC000000538509 |
CONTENTS