| Synonyms: | |
| Status: | Approved (1985) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | KV2JZ1BI6Z |
| InChI Key | LXNHXLLTXMVWPM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.18 |
| AlogP | 0.08 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 73.58 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 12.0 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Movement Disorders | 3 | D009069 | ClinicalTrials |
| Hand-Foot Syndrome | 3 | D060831 | ClinicalTrials |
| Non-alcoholic Fatty Liver Disease | 3 | D065626 | ClinicalTrials |
| Tuberculosis | 3 | D014376 | ClinicalTrials |
| Spasms, Infantile | 3 | D013036 | ClinicalTrials |
| Alzheimer Disease | 3 | D000544 | ClinicalTrials |
| Myocardial Infarction | 2 | D009203 | ClinicalTrials |
| Attention Deficit Disorder with Hyperactivity | 2 | D001289 | ClinicalTrials |
| Tuberculosis, Pulmonary | 2 | D014397 | ClinicalTrials |
| Myocardial Ischemia | 2 | D017202 | ClinicalTrials |
| HIV Infections | 2 | D015658 | ClinicalTrials |
| Multiple Myeloma | 2 | D009101 | ClinicalTrials |
| Heart Failure | 2 | D006333 | ClinicalTrials |
| Atherosclerosis | 2 | D050197 | ClinicalTrials |
| Psychotic Disorders | 2 | D011618 | ClinicalTrials |
| Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
| Epilepsy | 2 | D004827 | ClinicalTrials |
| Lymphoma | 2 | D008223 | ClinicalTrials |
| Pulmonary Alveolar Proteinosis | 1 | D011649 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 65-23-6 |
| ChEBI | 16709 |
| ChEMBL | CHEMBL1364 |
| DrugBank | DB00165 |
| DrugCentral | 2836 |
| EPA CompTox | DTXSID4023541 |
| FDA SRS | KV2JZ1BI6Z |
| Human Metabolome Database | HMDB0000239 |
| KEGG | C00314 |
| PDB | UEG |
| PharmGKB | PA451897 |
| PubChem | 1054 |
| SureChEMBL | SCHEMBL3506 |
| ZINC | ZINC000000049154 |