betaxolol   Click here for help

GtoPdb Ligand ID: 549

Synonyms: betaxolol HCl | Betoptic® | Kerlone® | SL-75212-10
Approved drug
betaxolol is an approved drug (FDA (1985))
Compound class: Synthetic organic
Comment: Betaxolol is a cardioselective β1-adrenoceptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 50.72
Molecular weight 307.21
XLogP 2.37
No. Lipinski's rules broken 1
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Canonical SMILES OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C
Isomeric SMILES OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C
InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1985))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4530 betaxolol
Synonyms Click here for help
betaxolol HCl | Betoptic® | Kerlone® | SL-75212-10
Database Links Click here for help
Specialist databases
GPCRdb Ligand betaxolol
Reactome Drug Reactome logo R-ALL-9610994
Reactome Reaction Reactome logo R-HSA-9609310
Other databases
BindingDB Ligand 50026854
CAS Registry No. 63659-18-7 (source: Scifinder)
ChEBI CHEBI:101354
DrugBank Ligand DB00195
DrugCentral Ligand 356
GtoPdb PubChem SID 135649987
PubChem CID 2369
Search Google for chemical match using the InChIKey NWIUTZDMDHAVTP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NWIUTZDMDHAVTP
Search PubMed clinical trials betaxolol
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UniChem Compound Search for chemical match using the InChIKey NWIUTZDMDHAVTP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey NWIUTZDMDHAVTP-UHFFFAOYSA-N
Wikipedia Betaxolol