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
SMILES / InChI / InChIKey
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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)
InChI Key LMJSLTNSBFUCMU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1960))
Withdrawn drug? Yes
IUPAC Name Click here for help
6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
International Nonproprietary Names Click here for help
INN number INN
1012 trichlormethiazide
Synonyms Click here for help
Naqua®
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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Wikipedia trichlormethiazide