pirbuterol   Click here for help

GtoPdb Ligand ID: 7272

Synonyms: CP-24314-1 | CP-24314-14 | CP-2431414 | Maxair®
Approved drug
pirbuterol is an approved drug (FDA (1986))
Compound class: Synthetic organic
Comment: Marketed formulations may contain (PubChem CID 171674).
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 85.61
Molecular weight 240.15
XLogP 0.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCc1nc(ccc1O)C(CNC(C)(C)C)O
Isomeric SMILES OCc1nc(ccc1O)C(CNC(C)(C)C)O
InChI InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3
InChI Key VQDBNKDJNJQRDG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1986))
IUPAC Name Click here for help
6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)pyridin-3-ol
International Nonproprietary Names Click here for help
INN number INN
3477 pirbuterol
Synonyms Click here for help
CP-24314-1 | CP-24314-14 | CP-2431414 | Maxair®
Database Links Click here for help
CAS Registry No. 38677-81-5
ChEMBL Ligand CHEMBL1094966
DrugBank Ligand DB01291
DrugCentral Ligand 2199
GtoPdb PubChem SID 178103846
PubChem CID 4845
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Wikipedia Pirbuterol