| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | A03AA05 |
| UNII: | 9RKX7S7WFY |
Structure
| InChI Key | LORDFXWUHHSAQU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H29NO5 |
| Molecular Weight | 387.48 |
| AlogP | 3.74 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 57.23 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 28.0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Irritable Bowel Syndrome | 2 | D043183 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39133-31-8 |
| ChEBI | 94458 |
| ChEMBL | CHEMBL190044 |
| DrugBank | DB09089 |
| DrugCentral | 2748 |
| EPA CompTox | DTXSID4023707 |
| FDA SRS | 9RKX7S7WFY |
| PubChem | 5573 |
| SureChEMBL | SCHEMBL25705 |
CONTENTS