(+)-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
SMILES / InChI / InChIKey
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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
InChI Key AQHHHDLHHXJYJD-CQSZACIVSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
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
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