Structure

InChI Key QKHDBRQBSNZFAK-UHFFFAOYSA-M
Smile CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1.[Na+]
InChI
InChI=1S/C12H18N2O3S.Na/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11;/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H17N2NaO3S
Molecular Weight 292.34
AlogP 1.78
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 75.27
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sulfonylurea receptor 1, Kir6.2 blocker PubMed PubMed PubMed PubMed

Cross References

Resources Reference
ChEMBL CHEMBL1200874
EPA CompTox DTXSID50197090
FDA SRS E830VC49W5