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 |