Structure

InChI Key YWXYYJSYQOXTPL-SLPGGIOYSA-N
Smile O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12
InChI
InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1

Physicochemical Descriptors

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

Pharmacology

Action Mechanism of Action Reference
ACTIVATOR Soluble guanylate cyclase activator FDA ISBN

Indications

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

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
15.38
Vascular disorders
14.72
Cardiac disorders
13.62
General disorders and administration site conditions
9.67
Injury, poisoning and procedural complications
8.61
Gastrointestinal disorders
5.58
Skin and subcutaneous tissue disorders
5.49
Respiratory, thoracic and mediastinal disorders
3.78
Musculoskeletal and connective tissue disorders
3.73
Psychiatric disorders
3.38
Investigations
2.72
Immune system disorders
2.55

Cross References

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