Structure

InChI Key XLZOVRYBVCMCGL-UHFFFAOYSA-L
Smile CC(C)(C)[N+]([O-])=Cc1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C11H15NO7S2.2Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19;;/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13NNa2O7S2
Molecular Weight 381.34
AlogP 0.91
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 134.81
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cerebral Hemorrhage 2 D002543 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Oligodendroglioma 1 D009837 ClinicalTrials
Hearing Loss, Noise-Induced 1 D006317 ClinicalTrials
Glioma 1 D005910 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2107334
EPA CompTox DTXSID50895069
FDA SRS 7M1J3HN9VO
PubChem 151178