Structure

InChI Key MRSXAJAOWWFZJJ-UHFFFAOYSA-M
Smile CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+]
InChI
InChI=1S/C4H6N4O3S2.Na/c1-2(9)6-3-7-8-4(12-3)13(5,10)11;/h1H3,(H3,5,6,7,9,10,11);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5N4NaO3S2
Molecular Weight 244.23
AlogP -0.86
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 115.04
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Carbonic anhydrase II inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
11.97
Nervous system disorders
11.97
Eye disorders
11.11
Renal and urinary disorders
10.26
General disorders and administration site conditions
9.4
Metabolism and nutrition disorders
7.69
Cardiac disorders
5.98
Psychiatric disorders
5.98
Vascular disorders
5.98
Gastrointestinal disorders
4.27
Respiratory, thoracic and mediastinal disorders
4.27
Blood and lymphatic system disorders
3.42

Cross References

Resources Reference
ChEBI 31163
ChEMBL CHEMBL1200814
EPA CompTox DTXSID00162031
FDA SRS 429ZT169UH
PubChem 13290219
SureChEMBL SCHEMBL40813