benzthiazide   Click here for help

GtoPdb Ligand ID: 7125

Synonyms: Aquatag® | Fovane®
Approved drug
benzthiazide is an approved drug (FDA (1960))
Compound class: Synthetic organic
Comment: Benzthiazide is a thiazide diuretic. It is no longer available in the US or UK, but marketing may be authorised by other national approval agencies.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 160.75
Molecular weight 430.98
XLogP 1.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cc2N=C(CSCc3ccccc3)NS(=O)(=O)c2cc1S(=O)(=O)N
Isomeric SMILES Clc1cc2N=C(CSCc3ccccc3)NS(=O)(=O)c2cc1S(=O)(=O)N
InChI InChI=1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21)
InChI Key NDTSRXAMMQDVSW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1960))
IUPAC Name Click here for help
3-(benzylsulfanylmethyl)-6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
International Nonproprietary Names Click here for help
INN number INN
944 benzthiazide
Synonyms Click here for help
Aquatag® | Fovane®
Database Links Click here for help
CAS Registry No. 91-33-8
ChEMBL Ligand CHEMBL1201039
DrugBank Ligand DB00562
DrugCentral Ligand 332
GtoPdb PubChem SID 178103702
PubChem CID 2343
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Wikipedia Benzthiazide