propafenone   

GtoPdb Ligand ID: 2561

Synonyms: Arythmol® | GNF-Pf-4594 | Rythmol®
propafenone is an approved drug (FDA (1989))
Compound class: Synthetic organic
Comment: Marketed formulations may contain propafenone hydrochloride (PubChem CID 36708).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 58.56
Molecular weight 341.2
XLogP 3.23
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O
Isomeric SMILES CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O
InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
InChI Key JWHAUXFOSRPERK-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1989))
IUPAC Name
1-[2-(2-hydroxy-3-propylaminopropoxy)phenyl]-3-phenylpropan-1-one
International Nonproprietary Names
INN number INN
3312 propafenone
Synonyms
Arythmol® | GNF-Pf-4594 | Rythmol®
Database Links
BindingDB Ligand 50067133
CAS Registry No. 54063-53-5 (source: Scifinder)
ChEBI CHEBI:63619
ChEMBL Ligand CHEMBL631
DrugBank Ligand DB01182
DrugCentral Ligand 2291
GtoPdb PubChem SID 135650856
PubChem CID 4932
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Search UniChem for chemical match using the InChIKey JWHAUXFOSRPERK-UHFFFAOYSA-N
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Wikipedia Propafenone