isoetarine   Click here for help

GtoPdb Ligand ID: 7205

Synonyms: Bronkometer® | Bronkosol® | WIN-3406
Approved drug Immunopharmacology Ligand
isoetarine is an approved drug (FDA (1979))
Compound class: Synthetic organic
Comment: Isoetharine is a bronchodilator. Note that the US FDA approved drug is isoetharine.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 72.72
Molecular weight 239.15
XLogP 1.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC(C(c1ccc(c(c1)O)O)O)NC(C)C
Isomeric SMILES CCC(C(c1ccc(c(c1)O)O)O)NC(C)C
InChI InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
InChI Key HUYWAWARQUIQLE-UHFFFAOYSA-N
Immunopharmacology Disease
Disease X-Refs Comment References
Chronic obstructive pulmonary disease Disease Ontology: DOID:3083
A bronchodilator used to manage COPD.
Asthma Disease Ontology: DOID:2841
OMIM: 600807
A bronchodilator used to manage asthma.