triamterene   

GtoPdb Ligand ID: 4329

Synonyms: Dyrenium® | Dytac® | SK-8542
triamterene is an approved drug (FDA (1964))
Compound class: Synthetic organic
Comment: Triamterene is a potassium-sparing diuretic.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 129.62
Molecular weight 253.11
XLogP 0.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N
Isomeric SMILES Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N
InChI InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
InChI Key FNYLWPVRPXGIIP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1964))
IUPAC Name
6-phenylpteridine-2,4,7-triamine
International Nonproprietary Names
INN number INN
1266 triamterene
Synonyms
Dyrenium® | Dytac® | SK-8542
Comments
Triamterene is a potassium-sparing diuretic.
Database Links
CAS Registry No. 396-01-0 (source: Scifinder)
ChEMBL Ligand CHEMBL585
DrugBank Ligand DB00384
DrugCentral Ligand 2728
GtoPdb PubChem SID 178101146
PubChem CID 5546
RCSB PDB Ligand DX2
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Wikipedia Triamterene