| Synonyms: | |
| Status: | Approved (2015) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A04AD14 |
| UNII: | NLE429IZUC |
Structure
| InChI Key | FIVSJYGQAIEMOC-ZGNKEGEESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H26F6N2O2 |
| Molecular Weight | 500.48 |
| AlogP | 5.73 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 50.36 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 35.0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Nausea | 4 | D009325 | ClinicalTrials |
| Postoperative Nausea and Vomiting | 2 | D020250 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 552292-08-7 |
| ChEBI | 90908 |
| ChEMBL | CHEMBL3707331 |
| DrugBank | DB09291 |
| DrugCentral | 5027 |
| EPA CompTox | DTXSID90203740 |
| FDA SRS | NLE429IZUC |
| Guide to Pharmacology | 5749 |
| PubChem | 10311306 |
| SureChEMBL | SCHEMBL354305 |
| ZINC | ZINC000003816514 |
CONTENTS