isoetarine

Ligand id: 7205

Name: isoetarine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 72.72
Molecular weight 239.15
XLogP 1.63
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1979))
IUPAC Name
4-{1-hydroxy-2-[(propan-2-yl)amino]butyl}benzene-1,2-diol
International Nonproprietary Names
INN number INN
1384 isoetarine
Synonyms
Bronkometer® | Bronkosol® | WIN-3406
Database Links
CAS Registry No. 530-08-5
ChEMBL Ligand CHEMBL1201213
DrugBank Ligand DB00221
GtoPdb PubChem SID 178103780
PubChem CID 3762
Search Google for chemical match using the InChIKey HUYWAWARQUIQLE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HUYWAWARQUIQLE
Search PubMed clinical trials isoetarine
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Search UniChem for chemical match using the InChIKey HUYWAWARQUIQLE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HUYWAWARQUIQLE
Wikipedia Isoetarine
Comments
Isoetharine is a bronchodilator. Note that the US FDA approved drug is isoetharine.