| Synonyms: | |
| Status: | Approved (1959) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N06AA02 |
| UNII: | OGG85SX4E4 |
Structure
| InChI Key | BCGWQEUPMDMJNV-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H24N2 |
| Molecular Weight | 280.42 |
| AlogP | 3.88 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 6.48 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Pharmacology
| Primary Target | |
|---|---|
| SERT |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Depressive Disorder | 4 | D003866 | ClinicalTrials |
| Anxiety | 3 | D001007 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Myocardial Infarction | 3 | D009203 | ClinicalTrials |
| Death, Sudden, Cardiac | 3 | D016757 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Chest Pain | 3 | D002637 | ClinicalTrials |
| Digestive System Diseases | 3 | D004066 | ClinicalTrials |
| Low Back Pain | 3 | D017116 | ClinicalTrials |
| Ventricular Fibrillation | 3 | D014693 | ClinicalTrials |
| Gastroesophageal Reflux | 3 | D005764 | ClinicalTrials |
| Somatoform Disorders | 2 | D013001 | ClinicalTrials |
| Dysthymic Disorder | 1 | D019263 | ClinicalTrials |
| Breast Neoplasms | 0 | D001943 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 50-49-7 |
| ChEBI | 47499 |
| ChEMBL | CHEMBL11 |
| DrugBank | DB00458 |
| DrugCentral | 1427 |
| EPA CompTox | DTXSID1043881 |
| FDA SRS | OGG85SX4E4 |
| Human Metabolome Database | HMDB0001848 |
| Guide to Pharmacology | 357 |
| KEGG | C07049 |
| PDB | IXX |
| PharmGKB | PA449969 |
| PubChem | 3696 |
| SureChEMBL | SCHEMBL34282 |
| ZINC | ZINC000000020245 |
CONTENTS