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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1979))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1384 isoetarine
Synonyms Click here for help
Bronkometer® | Bronkosol® | WIN-3406
Database Links Click here for help
CAS Registry No. 530-08-5
ChEMBL Ligand CHEMBL1201213
DrugBank Ligand DB00221
DrugCentral Ligand 1491
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
Search PubMed titles isoetarine
Search PubMed titles/abstracts isoetarine
UniChem Compound Search for chemical match using the InChIKey HUYWAWARQUIQLE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HUYWAWARQUIQLE-UHFFFAOYSA-N
Wikipedia Isoetarine