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 |