POLYTHIAZIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1961)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C03AA05
UNII: SWY93BD8RL

Structure
InChI Key CYLWJCABXYDINA-UHFFFAOYSA-N
Smile CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O
InChI
InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13ClF3N3O4S3
Molecular Weight 439.89
AlogP 1.66
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 109.57
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Mixture
Mixture

Cross References

Resources Reference
CAS NUMBER 346-18-9
ChEBI 8327
ChEMBL CHEMBL1587
DrugBank DB01324
DrugCentral 2228
EPA CompTox DTXSID6025939
FDA SRS SWY93BD8RL
Human Metabolome Database HMDB0015419
Guide to Pharmacology 7274
KEGG C07766
PharmGKB PA164748763
PubChem 4870
SureChEMBL SCHEMBL27909
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