Structure

InChI Key JBMKAUGHUNFTOL-UHFFFAOYSA-N
Smile NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
InChI
InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6ClN3O4S2
Molecular Weight 295.73
AlogP -0.06
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 118.69
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Thiazide-sensitive sodium-chloride cotransporter inhibitor DOI

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coronary Disease 3 D003327 ClinicalTrials
Heart Diseases 3 D006331 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Atherosclerosis 3 D050197 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials

Related Entries

MCS

Salt
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Metabolism and nutrition disorders
26.32
Renal and urinary disorders
21.05
General disorders and administration site conditions
15.79
Injury, poisoning and procedural complications
15.79
Gastrointestinal disorders
7.89
Product issues
7.89
Vascular disorders
5.26

Cross References

Resources Reference
CAS NUMBER 58-94-6
ChEBI 3640
ChEMBL CHEMBL842
DrugBank DB00880
DrugCentral 609
EPA CompTox DTXSID0022800
FDA SRS 77W477J15H
Human Metabolome Database HMDB0015018
Guide to Pharmacology 4835
KEGG C07461
PharmGKB PA448953
PubChem 2720
SureChEMBL SCHEMBL22329
ZINC ZINC000003872055