| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | R06AD04 |
| UNII: | 4Q13LY9Z8X |
Structure
| InChI Key | HTMIBDQKFHUPSX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H20N2S |
| Molecular Weight | 296.44 |
| AlogP | 4.24 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 6.48 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
Pharmacology
Indications
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1982-37-2 |
| ChEBI | 6823 |
| ChEMBL | CHEMBL1200959 |
| DrugBank | DB00902 |
| DrugCentral | 1742 |
| EPA CompTox | DTXSID6023282 |
| FDA SRS | 4Q13LY9Z8X |
| Human Metabolome Database | HMDB0015038 |
| Guide to Pharmacology | 7231 |
| KEGG | C07175 |
| PharmGKB | PA164743018 |
| PubChem | 14677 |
| SureChEMBL | SCHEMBL121507 |
CONTENTS