bupranolol   Click here for help

GtoPdb Ligand ID: 550

Synonyms: Betadrenol® | BRN 2272923 | Ophtorenin® | SK&F 16805-A
Approved drug
bupranolol is an approved drug
Compound class: Synthetic organic
Comment: Bupranolol is a β-adrenoceptor antagonist (beta blocker) with a similar potency to propranolol.
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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 6
Topological polar surface area 41.49
Molecular weight 271.13
XLogP 3.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(COc1cc(C)ccc1Cl)CNC(C)(C)C
Isomeric SMILES OC(COc1cc(C)ccc1Cl)CNC(C)(C)C
InChI InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
InChI Key HQIRNZOQPUAHHV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol
International Nonproprietary Names Click here for help
INN number INN
3166 bupranolol
Synonyms Click here for help
Betadrenol® | BRN 2272923 | Ophtorenin® | SK&F 16805-A
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9611002
Reactome Reaction Reactome logo R-HSA-9609310
Other databases
BindingDB Ligand 25765
CAS Registry No. 14556-46-8 (source: Scifinder)
ChEMBL Ligand CHEMBL305380
DrugBank Ligand DB08808
DrugCentral Ligand 433
GtoPdb PubChem SID 135650033
PubChem CID 2475
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UniChem Compound Search for chemical match using the InChIKey HQIRNZOQPUAHHV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HQIRNZOQPUAHHV-UHFFFAOYSA-N
Wikipedia Bupranolol