procaterol   

GtoPdb Ligand ID: 3464

procaterol is an approved drug
Compound class: Synthetic organic
Comment: The approved drug procaterol is a mixture of 1R 2S and 1S, 2R stereoisomers. Four isomers are listed by PubChem.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 85.35
Molecular weight 290.16
XLogP 2.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C
Isomeric SMILES CCC(C(c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C
InChI InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)
InChI Key FKNXQNWAXFXVNW-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
International Nonproprietary Names
INN number INN
4259 procaterol
Database Links
CAS Registry No. 72332-33-3 (source: Scifinder)
ChEMBL Ligand CHEMBL160519
DrugBank Ligand DB01366
GtoPdb PubChem SID 53801069
PubChem CID 4916
Search Google for chemical match using the InChIKey FKNXQNWAXFXVNW-UHFFFAOYSA-N
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Search PubMed clinical trials procaterol
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Search UniChem for chemical match using the InChIKey FKNXQNWAXFXVNW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FKNXQNWAXFXVNW
Wikipedia Procaterol