Structure

InChI Key HRXKRNGNAMMEHJ-UHFFFAOYSA-K
Smile O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChI
InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5Na3O7
Molecular Weight 258.07
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 2160000-2160000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Uveitis, Anterior 3 D014606 ClinicalTrials
Dry Eye Syndromes 3 D015352 ClinicalTrials
Graft vs Host Disease 3 D006086 ClinicalTrials
Venous Thrombosis 2 D020246 ClinicalTrials
Cataract 2 D002386 ClinicalTrials
Polycystic Kidney, Autosomal Dominant 2 D016891 ClinicalTrials
Diabetes Mellitus, Type 1 1 D003922 ClinicalTrials
Osteoarthritis 1 D010003 ClinicalTrials
Propionic Acidemia 1 D056693 ClinicalTrials

Related Entries

Mixture
Mixture

Cross References

Resources Reference
CAS NUMBER 68-04-2
ChEBI 53258
ChEMBL CHEMBL1355
DrugBank DB09154
EPA CompTox DTXSID2026363
FDA SRS 1Q73Q2JULR
PubChem 6224
SureChEMBL SCHEMBL3657