| Synonyms: | |
| Status: | Approved (1954) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C01CA09 |
| UNII: | 818U2PZ2EH |
Structure
| InChI Key | WXFIGDLSSYIKKV-RCOVLWMOSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.21 |
| AlogP | 0.77 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 66.48 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Pre-Eclampsia | 3 | D011225 | ClinicalTrials |
| Hypotension | 2 | D007022 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 54-49-9 |
| ChEBI | 6794 |
| ChEMBL | CHEMBL1201319 |
| DrugBank | DB00610 |
| DrugCentral | 1721 |
| EPA CompTox | DTXSID8023268 |
| FDA SRS | 818U2PZ2EH |
| Human Metabolome Database | HMDB0014748 |
| Guide to Pharmacology | 7229 |
| KEGG | C07146 |
| PharmGKB | PA164748761 |
| PubChem | 5906 |
| SureChEMBL | SCHEMBL136778 |
| ZINC | ZINC000000001695 |
CONTENTS