amiloride   Click here for help

GtoPdb Ligand ID: 2421

Synonyms: amiloride HCl | Midamor®
Approved drug PDB Ligand
amiloride is an approved drug (FDA (1981))
Compound class: Synthetic organic
Comment: Amiloride is a loop diuretic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 159.29
Molecular weight 229.05
XLogP -0.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=NC(=O)c1nc(Cl)c(nc1N)N)N
Isomeric SMILES NC(=NC(=O)c1nc(Cl)c(nc1N)N)N
InChI InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
InChI Key XSDQTOBWRPYKKA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
International Nonproprietary Names Click here for help
INN number INN
2352 amiloride
Synonyms Click here for help
amiloride HCl | Midamor®
Database Links Click here for help
BindingDB Ligand 16173
CAS Registry No. 2609-46-3
ChEBI CHEBI:2639
ChEMBL Ligand CHEMBL945
DrugBank Ligand DB00594
DrugCentral Ligand 158
GtoPdb PubChem SID 135649936
PubChem CID 16231
RCSB PDB Ligand AMR
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Wikipedia Amiloride