Structure

InChI Key QGNBTYAQAPLTMX-UHFFFAOYSA-L
Smile O=S(=O)([O-])c1cc(O)ccc1O.O=S(=O)([O-])c1cc(O)ccc1O.[Ca+2]
InChI
InChI=1S/2C6H6O5S.Ca/c2*7-4-1-2-5(8)6(3-4)12(9,10)11;/h2*1-3,7-8H,(H,9,10,11);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10CaO10S2
Molecular Weight 418.41
AlogP 0.34
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 94.83
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 12.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Menorrhagia 3 D008595 ClinicalTrials
Infertility 2 D007246 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Rosacea 1 D012393 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2106191
EPA CompTox DTXSID60173946
FDA SRS 5921X1560Q
PubChem 29963
SureChEMBL SCHEMBL148396