Structure

InChI Key NJDNXYGOVLYJHP-UHFFFAOYSA-L
Smile O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc([O-])ccc12.[Na+].[Na+]
InChI
InChI=1S/C20H12O5.2Na/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;;/h1-10,21H,(H,23,24);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H10Na2O5
Molecular Weight 376.28
AlogP 2.84
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 72.83
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
None Disclosing agent DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hyperemia 3 D006940 ClinicalTrials
Skin Diseases 2 D012871 ClinicalTrials
Heart Septal Defects, Ventricular 2 D006345 ClinicalTrials
Neurilemmoma 2 D009442 ClinicalTrials
Heart Septal Defects, Atrial 1 D006344 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
12.85
Skin and subcutaneous tissue disorders
10.57
General disorders and administration site conditions
10.47
Cardiac disorders
10.36
Nervous system disorders
10.36
Vascular disorders
9.74
Immune system disorders
9.53
Gastrointestinal disorders
5.91
Investigations
4.56
Eye disorders
2.8
Psychiatric disorders
2.38

Cross References

Resources Reference
ChEMBL CHEMBL1628233
FDA SRS 93X55PE38X
PubChem 10608
SureChEMBL SCHEMBL264060