chlorothiazide   

GtoPdb Ligand ID: 4835

Synonyms: Diuril®
chlorothiazide is an approved drug (FDA (1958))
Compound class: Synthetic organic
Comment: Chlorothiazide is a thiazide diuretic, similar to hydrochlorothiazide.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 135.45
Molecular weight 294.95
XLogP 0.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N
Isomeric SMILES Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N
InChI InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)
InChI Key JBMKAUGHUNFTOL-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1958))
IUPAC Name
6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
International Nonproprietary Names
INN number INN
636 chlorothiazide
Synonyms
Diuril®
Comments
Chlorothiazide is a thiazide diuretic, similar to hydrochlorothiazide.
Database Links
CAS Registry No. 58-94-6 (source: Scifinder)
ChEMBL Ligand CHEMBL842
DrugBank Ligand DB00880
DrugCentral Ligand 609
GtoPdb PubChem SID 178101537
PubChem CID 2720
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Search UniChem for chemical match using the InChIKey JBMKAUGHUNFTOL-UHFFFAOYSA-N
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Wikipedia Chlorothiazide