isoprenaline   

GtoPdb Ligand ID: 536

Synonyms: isoproterenol | Isuprel® | Medihaler-Iso®
isoprenaline is an approved drug
Compound class: Synthetic organic
Comment: Isoprenaline is a β-adrenoceptor agonist drug.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 72.72
Molecular weight 211.12
XLogP 1.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(NCC(c1ccc(c(c1)O)O)O)C
Isomeric SMILES CC(NCC(c1ccc(c(c1)O)O)O)C
InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
InChI Key JWZZKOKVBUJMES-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
International Nonproprietary Names
INN number INN
4201 isoprenaline
Synonyms
isoproterenol | Isuprel® | Medihaler-Iso®
Database Links
BindingDB Ligand 25392
CAS Registry No. 7683-59-2
ChEBI CHEBI:64317
ChEMBL Ligand CHEMBL434
DrugBank Ligand DB01064
DrugCentral Ligand 1499
GtoPdb PubChem SID 135650431
PubChem CID 3779
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Wikipedia Isoprenaline