alprenolol   

GtoPdb Ligand ID: 563

Synonyms: Atenenol®
alprenolol is an approved drug
Compound class: Synthetic organic
Comment: The approved drug alprenolol is a racemic mixture of the R and S isomers. We show the non-stereo structure to represent the mixture.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 41.49
Molecular weight 249.17
XLogP 2.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES C=CCc1ccccc1OCC(CNC(C)C)O
Isomeric SMILES C=CCc1ccccc1OCC(CNC(C)C)O
InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
InChI Key PAZJSJFMUHDSTF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
International Nonproprietary Names
INN number INN
2461 alprenolol
Synonyms
Atenenol®
Database Links
BindingDB Ligand 25764
CAS Registry No. 13655-52-2 (source: Scifinder)
ChEBI CHEBI:51211
ChEMBL Ligand CHEMBL266195
DrugBank Ligand DB00866
DrugCentral Ligand 137
GtoPdb PubChem SID 135649926
PubChem CID 2119
Search Google for chemical match using the InChIKey PAZJSJFMUHDSTF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PAZJSJFMUHDSTF
Search PubMed clinical trials alprenolol
Search PubMed titles alprenolol
Search PubMed titles/abstracts alprenolol
Search UniChem for chemical match using the InChIKey PAZJSJFMUHDSTF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PAZJSJFMUHDSTF
SynPHARM 1879 (in complex with β2-adrenoceptor)
Wikipedia Alprenolol