METHYCLOTHIAZIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1960)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C03AA08
UNII: R6KDH2S0SX

Structure
InChI Key CESYKOGBSMNBPD-UHFFFAOYSA-N
Smile CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O
InChI
InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11Cl2N3O4S2
Molecular Weight 360.24
AlogP 0.6
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 109.57
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Mixture
Mixture
Mixture

Cross References

Resources Reference
CAS NUMBER 135-07-9
ChEBI 6847
ChEMBL CHEMBL1577
DrugBank DB00232
DrugCentral 1759
EPA CompTox DTXSID6023313
FDA SRS R6KDH2S0SX
Human Metabolome Database HMDB0014377
Guide to Pharmacology 7235
KEGG C07765
PharmGKB PA164748094
PubChem 4121
SureChEMBL SCHEMBL49396
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