penbutolol   Click here for help

GtoPdb Ligand ID: 7263

Synonyms: HOE-39-893d | HOE-893d | Levatol®
Approved drug
penbutolol is an approved drug (FDA (1987))
Compound class: Synthetic organic
Comment: Penbutolol is a β-adrenoceptor antagonist (β-blocker).
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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 7
Topological polar surface area 41.49
Molecular weight 291.22
XLogP 4.17
No. Lipinski's rules broken 0
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Canonical SMILES OC(COc1ccccc1C1CCCC1)CNC(C)(C)C
Isomeric SMILES O[C@H](COc1ccccc1C1CCCC1)CNC(C)(C)C
InChI InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1987))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3017 penbutolol
Synonyms Click here for help
HOE-39-893d | HOE-893d | Levatol®
Database Links Click here for help
CAS Registry No. 38363-40-5
ChEMBL Ligand CHEMBL1290
DrugBank Ligand DB01359
DrugCentral Ligand 2078
GtoPdb PubChem SID 178103837
PubChem CID 37464
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Wikipedia Penbutolol