| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2018) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N07XX05 |
| UNII: | RU4S6E2G0J |
Structure
| InChI Key | OYTKINVCDFNREN-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H7N3 |
| Molecular Weight | 109.13 |
| AlogP | 0.25 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 64.93 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 8.0 |
Pharmacology
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Sclerosis | 3 | D009103 | ClinicalTrials |
| Botulism | 2 | D001906 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 54-96-6 |
| ChEBI | 135948 |
| ChEMBL | CHEMBL354077 |
| DrugBank | DB11640 |
| DrugCentral | 4336 |
| EPA CompTox | DTXSID6046715 |
| FDA SRS | RU4S6E2G0J |
| Guide to Pharmacology | 8032 |
| PDB | L89 |
| PubChem | 5918 |
| SureChEMBL | SCHEMBL21273 |
| ZINC | ZINC000000164000 |
CONTENTS