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
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1960))
IUPAC Name Click here for help
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
Search Google for chemical match using the InChIKey NDTSRXAMMQDVSW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NDTSRXAMMQDVSW
Search PubMed clinical trials benzthiazide
Search PubMed titles benzthiazide
Search PubMed titles/abstracts benzthiazide
UniChem Compound Search for chemical match using the InChIKey NDTSRXAMMQDVSW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey NDTSRXAMMQDVSW-UHFFFAOYSA-N
Wikipedia Benzthiazide