Structure

InChI Key OSRUSFPMRGDLAG-QMGYSKNISA-N
Smile CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl
InChI
InChI=1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17ClN2O4S3
Molecular Weight 360.91
AlogP 0.61
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 106.33
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Carbonic anhydrase II inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Glaucoma 4 D005901 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
25.53
General disorders and administration site conditions
16.31
Nervous system disorders
10.8
Injury, poisoning and procedural complications
7.71
Skin and subcutaneous tissue disorders
5.62
Product issues
4.34
Respiratory, thoracic and mediastinal disorders
3.82
Cardiac disorders
3.71
Gastrointestinal disorders
3.64
Vascular disorders
3.64
Immune system disorders
3.27
Investigations
2.98
Psychiatric disorders
2.65

Cross References

Resources Reference
ChEBI 4703
ChEMBL CHEMBL1201162
EPA CompTox DTXSID1045530
FDA SRS QZO5366EW7
PubChem 6918132
SureChEMBL SCHEMBL41152