| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N05BA11 |
| UNII: | Q30VCC064M |
Structure
| InChI Key | MWQCHHACWWAQLJ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H17ClN2O |
| Molecular Weight | 324.81 |
| AlogP | 3.93 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 32.67 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 23.0 |
Pharmacology
Indications
Related Entries
MCS
Scaffolds
Environmental Impact
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2955-38-6 |
| ChEBI | 8362 |
| ChEMBL | CHEMBL969 |
| DrugBank | DB01588 |
| DrugCentral | 2240 |
| EPA CompTox | DTXSID4021181 |
| FDA SRS | Q30VCC064M |
| Human Metabolome Database | HMDB0015527 |
| Guide to Pharmacology | 7275 |
| KEGG | C07366 |
| PharmGKB | PA164776668 |
| PubChem | 4890 |
| SureChEMBL | SCHEMBL78272 |
| ZINC | ZINC000000001971 |
CONTENTS