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
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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)
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Molecular structure representations generated using Open Babel