QUINETHAZONE

Search structure
Trade Names:
Synonyms:
Status: Approved (1963)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C03BA02
UNII: 455E0S048W

Structure
InChI Key AGMMTXLNIQSRCG-UHFFFAOYSA-N
Smile CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1
InChI
InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12ClN3O3S
Molecular Weight 289.74
AlogP 0.88
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 101.29
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Mixture

Cross References

Resources Reference
CAS NUMBER 73-49-4
ChEBI 8717
ChEMBL CHEMBL1532
DrugBank DB01325
DrugCentral 2343
EPA CompTox DTXSID9023548
FDA SRS 455E0S048W
Human Metabolome Database HMDB0015420
Guide to Pharmacology 7289
KEGG C07342
PharmGKB PA164760863
PubChem 6307
SureChEMBL SCHEMBL301310
ZINC ZINC00896838
CONTENTS