cyclothiazide   

GtoPdb Ligand ID: 4167

Synonyms: Anhydron® | Aquirel®
cyclothiazide is an approved drug
Compound class: Synthetic organic
Comment: Cyclothiazide functions primarily as an inhibior of the sodium-chloride symporter (SLC12A3) in distal convoluted tubules.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 135.12
Molecular weight 389.03
XLogP 1.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C1CC2CC1C=C2
Isomeric SMILES Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C1CC2CC1C=C2
InChI InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
InChI Key BOCUKUHCLICSIY-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
3-{bicyclo[2.2.1]hept-5-en-2-yl}-6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
International Nonproprietary Names
INN number INN
1138 cyclothiazide
Synonyms
Anhydron® | Aquirel®
Database Links
CAS Registry No. 2259-96-3 (source: SciFinder)
ChEMBL Ligand CHEMBL61593
DrugBank Ligand DB00606
DrugCentral Ligand 761
GtoPdb PubChem SID 178100987
PubChem CID 2910
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Wikipedia Cyclothiazide

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Tocris
Cyclothiazide
Cat. No. 0713