betaxolol

Ligand id: 549

Name: betaxolol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 50.72
Molecular weight 307.21
XLogP 2.77
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1985))
IUPAC Name
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
International Nonproprietary Names
INN number INN
4530 betaxolol
Synonyms
betaxolol HCl | Betoptic® | Kerlone® | SL-75212-10
Database Links
BindingDB Ligand 50026854
CAS Registry No. 63659-18-7 (source: Scifinder)
ChEBI CHEBI:101354
ChEMBL Ligand CHEMBL423
DrugBank Ligand DB00195
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
Search PubMed titles betaxolol
Search PubMed titles/abstracts betaxolol
Search UniChem for chemical match using the InChIKey NWIUTZDMDHAVTP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NWIUTZDMDHAVTP
Wikipedia Betaxolol
Comments
Betaxolol is a cardioselective β1-adrenoceptor antagonist.