orciprenaline   

GtoPdb Ligand ID: 7250

Synonyms: Alupent® | metaproterenol sulfate | TH-152
orciprenaline is an approved drug (FDA (1973))
Compound class: Synthetic organic
Comment: Orciprenaline is a β-adrenoceptor agonist.
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
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(c1cc(O)cc(c1)O)CNC(C)C
Isomeric SMILES OC(c1cc(O)cc(c1)O)CNC(C)C
InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
InChI Key LMOINURANNBYCM-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1973))
IUPAC Name
5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol
International Nonproprietary Names
INN number INN
1586 orciprenaline
Synonyms
Alupent® | metaproterenol sulfate | TH-152
Database Links
CAS Registry No. 586-06-1
ChEMBL Ligand CHEMBL776
DrugBank Ligand DB00816
DrugCentral Ligand 1720
GtoPdb PubChem SID 178103824
PubChem CID 4086
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Wikipedia Orciprenaline