levobetaxolol   Click here for help

GtoPdb Ligand ID: 8035

Synonyms: (-)-betaxolol | (S)-betaxolol | AL-1577A | Betaxon®
Approved drug
levobetaxolol is an approved drug (FDA (2000) no prior history available)
Compound class: Synthetic organic
Comment: This is the active isomer of betaxolol [1]. The clinically used compound is levobetaxolol hydrochloride (PubChem CID 60656).
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
Canonical SMILES OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C
Isomeric SMILES O[C@H](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/t17-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2000) no prior history available)
Withdrawn drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6447 levobetaxolol
Synonyms Click here for help
(-)-betaxolol | (S)-betaxolol | AL-1577A | Betaxon®
Database Links Click here for help
Specialist databases
GPCRdb Ligand levobetaxolol
Reactome Drug Reactome logo R-ALL-9610984
Reactome Reaction Reactome logo R-HSA-9609310
Other databases
CAS Registry No. 93221-48-8
ChEMBL Ligand CHEMBL1201274
DrugCentral Ligand 4752
GtoPdb PubChem SID 249565715
PubChem CID 60657
Search Google for chemical match using the InChIKey NWIUTZDMDHAVTP-KRWDZBQOSA-N
Search Google for chemicals with the same backbone NWIUTZDMDHAVTP
Search PubMed clinical trials levobetaxolol
Search PubMed titles levobetaxolol
Search PubMed titles/abstracts levobetaxolol
UniChem Compound Search for chemical match using the InChIKey NWIUTZDMDHAVTP-KRWDZBQOSA-N
UniChem Connectivity Search for chemical match using the InChIKey NWIUTZDMDHAVTP-KRWDZBQOSA-N
Wikipedia Levobetaxolol