| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | J01DD13 |
| UNII: | 7R4F94TVGY |
| InChI Key | WYUSVOMTXWRGEK-HBWVYFAYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H17N5O6S2 |
| Molecular Weight | 427.46 |
| AlogP | -0.54 |
| Hydrogen Bond Acceptor | 10.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 156.44 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 28.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 80210-62-4 |
| ChEBI | 3504 |
| ChEMBL | CHEMBL1672 |
| DrugBank | DB01416 |
| EPA CompTox | DTXSID6022765 |
| FDA SRS | 7R4F94TVGY |
| Human Metabolome Database | HMDB0015486 |
| Guide to Pharmacology | 10780 |
| KEGG | C08114 |
| PharmGKB | PA164746385 |
| PubChem | 6335986 |
| SureChEMBL | SCHEMBL27072 |
| ZINC | ZINC000003830453 |