| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C05AE03 |
| UNII: | EE92BBP03H |
Structure
| InChI Key | HSUGRBWQSSZJOP-RTWAWAEBSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H26N2O4S |
| Molecular Weight | 414.53 |
| AlogP | 3.37 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 59.08 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 29.0 |
Pharmacology
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hypertension | 3 | D006973 | ClinicalTrials |
| Atrial Fibrillation | 3 | D001281 | ClinicalTrials |
| Reperfusion Injury | 3 | D015427 | ClinicalTrials |
| Heart Failure | 3 | D006333 | ClinicalTrials |
| Arrhythmias, Cardiac | 3 | D001145 | ClinicalTrials |
| Atherosclerosis | 3 | D050197 | ClinicalTrials |
| Myocardial Ischemia | 3 | D017202 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
| Coronary Disease | 3 | D003327 | ClinicalTrials |
| Hypercholesterolemia | 3 | D006937 | ClinicalTrials |
| Influenza, Human | 2 | D007251 | ClinicalTrials |
| Cardiomyopathy, Hypertrophic | 2 | D002312 | ClinicalTrials |
| Fissure in Ano | 2 | D005401 | ClinicalTrials |
| Anus Diseases | 2 | D001004 | ClinicalTrials |
| Postoperative Nausea and Vomiting | 2 | D020250 | ClinicalTrials |
| Hypotension | 1 | D007022 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Constipation | 1 | D003248 | ClinicalTrials |
| Substance-Related Disorders | 1 | D019966 | ClinicalTrials |
| Thrombosis | 1 | D013927 | ClinicalTrials |
| Metabolic Syndrome | 1 | D024821 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 42399-41-7 |
| ChEBI | 101278 |
| ChEMBL | CHEMBL23 |
| DrugBank | DB00343 |
| DrugCentral | 897 |
| EPA CompTox | DTXSID9022940 |
| FDA SRS | EE92BBP03H |
| Human Metabolome Database | HMDB14487 |
| Guide to Pharmacology | 2298 |
| KEGG | C06958 |
| PDB | C9F |
| PharmGKB | PA449334 |
| PubChem | 39186 |
| SureChEMBL | SCHEMBL17776 |
| ZINC | ZINC000000621893 |
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