fenoterol   Click here for help

GtoPdb Ligand ID: 557

Synonyms: Berotec® | TH-1165A
Approved drug
fenoterol is an approved drug
Compound class: Synthetic organic
Comment: Fenoterol is a short-acting β2-adrenoceptor agonist (sympathomimetic) drug. The clinically used drug is a racemic mixture of enantiomers. We show the structure without specified stereochemistry to represent the mixture. The (S,R) and (R,S) enantiomers are much less active tha the (S,S) and (R,R) enantiomers.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 92.95
Molecular weight 303.15
XLogP 2.04
No. Lipinski's rules broken 0
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Canonical SMILES CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O
Isomeric SMILES CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O
InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3073 fenoterol
Synonyms Click here for help
Berotec® | TH-1165A
Database Links Click here for help
Specialist databases
GPCRdb Ligand fenoterol
Other databases
BindingDB Ligand 50131281
CAS Registry No. 1944-10-1 (source: NCI)
ChEBI CHEBI:149226
ChEMBL Ligand CHEMBL32800
DrugBank Ligand DB01288
DrugCentral Ligand 1155
GtoPdb PubChem SID 135650257
PubChem CID 3343
Search Google for chemical match using the InChIKey LSLYOANBFKQKPT-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey LSLYOANBFKQKPT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LSLYOANBFKQKPT-UHFFFAOYSA-N
Wikipedia Fenoterol