alprenolol   Click here for help

GtoPdb Ligand ID: 563

Synonyms: Atenenol®
Approved drug
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.
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2461 alprenolol
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand alprenolol
Other databases
BindingDB Ligand 25764
CAS Registry No. 13655-52-2 (source: Scifinder)
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
SynPHARM 1879 (in complex with β2-adrenoceptor)
UniChem Compound Search for chemical match using the InChIKey PAZJSJFMUHDSTF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey PAZJSJFMUHDSTF-UHFFFAOYSA-N
Wikipedia Alprenolol