hydrochlorothiazide   Click here for help

GtoPdb Ligand ID: 4836

Synonyms: Apo-hydro®
Approved drug PDB Ligand
hydrochlorothiazide is an approved drug (FDA (1959))
Compound class: Synthetic organic
Comment: Hydrochlorothiazide is the prototypical thiazide diuretic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 135.12
Molecular weight 296.96
XLogP -0.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N
Isomeric SMILES Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N
InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChI Key JZUFKLXOESDKRF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1959))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
International Nonproprietary Names Click here for help
INN number INN
841 hydrochlorothiazide
Synonyms Click here for help
Apo-hydro®
Database Links Click here for help
CAS Registry No. 58-93-5 (source: Scifinder)
ChEMBL Ligand CHEMBL435
DrugBank Ligand DB00999
DrugCentral Ligand 1385
GtoPdb PubChem SID 178101538
PubChem CID 3639
RCSB PDB Ligand HCZ
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Wikipedia Hydrochlorothiazide