trichlormethiazide   Click here for help

GtoPdb Ligand ID: 7314

Synonyms: Naqua®
Approved drug
trichlormethiazide is an approved drug (FDA (1960))
Compound class: Synthetic organic
Comment: Trichlormethiazide is a diuretic.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 135.12
Molecular weight 378.9
XLogP 0.74
No. Lipinski's rules broken 0
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Canonical SMILES ClC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl
Isomeric SMILES ClC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl
InChI InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1960))
Withdrawn drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1012 trichlormethiazide
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 133-67-5
ChEMBL Ligand CHEMBL1054
DrugBank Ligand DB01021
DrugCentral Ligand 2733
GtoPdb PubChem SID 178103887
PubChem CID 5560
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