levosalbutamol   Click here for help

GtoPdb Ligand ID: 9816

Synonyms: (-)-albuterol | (-)-salbutamol | (R)-salbutamol | levalbuterol | Xopenex®
Approved drug PDB Ligand Immunopharmacology Ligand
levosalbutamol is an approved drug (FDA (prior to 1999))
Compound class: Synthetic organic
Comment: Levosalbutamol is a short-acting β2-adrenoceptor agonist used in anti-asthma medications. Structurally it is the R enantiomer of the racemic mixture that has the INN salbutamol. Levosalbutamol belongs to the 'short-acting beta-agonist' (SABA) drug family.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 72.72
Molecular weight 239.15
XLogP 1.44
No. Lipinski's rules broken 0
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Canonical SMILES OCc1cc(ccc1O)C(CNC(C)(C)C)O
Isomeric SMILES OCc1cc(ccc1O)[C@H](CNC(C)(C)C)O
InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (prior to 1999))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7681 levosalbutamol
Synonyms Click here for help
(-)-albuterol | (-)-salbutamol | (R)-salbutamol | levalbuterol | Xopenex®
Database Links Click here for help
Specialist databases
GPCRdb Ligand levosalbutamol
Other databases
BindingDB Ligand 50361247
CAS Registry No. 34391-04-3 (source: WHO INN record)
ChEMBL Ligand CHEMBL1002
DrugCentral Ligand 1575
GtoPdb PubChem SID 354702288
PubChem CID 123600
RCSB PDB Ligand 68H
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UniChem Compound Search for chemical match using the InChIKey NDAUXUAQIAJITI-LBPRGKRZSA-N
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