(+)-propranolol   Click here for help

GtoPdb Ligand ID: 7596

Synonyms: dextropropranolol | R(+)-propranolol
Compound class: Synthetic organic
Comment: A component of the approved drug propranolol. Propranolol is a racemic mixture of two enantiomers (+)-propranolol, and (-)-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 259.16
XLogP 3.03
No. Lipinski's rules broken 0
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Canonical SMILES OC(COc1cccc2c1cccc2)CNC(C)C
Isomeric SMILES O[C@@H](COc1cccc2c1cccc2)CNC(C)C
InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1940 propranolol
Synonyms Click here for help
dextropropranolol | R(+)-propranolol
Database Links Click here for help
CAS Registry No. 5051-22-9 (source: Scifinder)
ChEMBL Ligand CHEMBL275742
GtoPdb PubChem SID 223365931
PubChem CID 21138
Search Google for chemical match using the InChIKey AQHHHDLHHXJYJD-CQSZACIVSA-N
Search Google for chemicals with the same backbone AQHHHDLHHXJYJD
Search PubMed clinical trials propranolol
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UniChem Compound Search for chemical match using the InChIKey AQHHHDLHHXJYJD-CQSZACIVSA-N
UniChem Connectivity Search for chemical match using the InChIKey AQHHHDLHHXJYJD-CQSZACIVSA-N