| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1991) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C01DA14 |
| UNII: | LX1OH63030 |
| Parent Compound: | ISOSORBIDE |
| InChI Key | YWXYYJSYQOXTPL-SLPGGIOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9NO6 |
| Molecular Weight | 191.14 |
| AlogP | -1.28 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 91.06 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 13.0 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Coronary Disease | 4 | D003327 | ClinicalTrials |
| Fetal Membranes, Premature Rupture | 3 | D005322 | ClinicalTrials |
| Hypertension | 2 | D006973 | ClinicalTrials |
| Heart Failure | 2 | D006333 | ClinicalTrials |
| Stroke | 2 | D020521 | ClinicalTrials |
| Oligohydramnios | 2 | D016104 | ClinicalTrials |
| Vascular Diseases | 1 | D014652 | ClinicalTrials |
| Fissure in Ano | 1 | D005401 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 16051-77-7 |
| ChEBI | 6062 |
| ChEMBL | CHEMBL1311 |
| DrugBank | DB01020 |
| DrugCentral | 1506 |
| EPA CompTox | DTXSID9023176 |
| FDA SRS | LX1OH63030 |
| Human Metabolome Database | HMDB0015155 |
| Guide to Pharmacology | 7052 |
| KEGG | C07714 |
| PharmGKB | PA450126 |
| PubChem | 27661 |
| SureChEMBL | SCHEMBL26781 |
| ZINC | ZINC000001849548 |