formoterol   Click here for help

GtoPdb Ligand ID: 3465

Synonyms: BD-40A | CGP-25827A | Foradil® | Oxeze/Oxis® | YM-08316
Approved drug Immunopharmacology Ligand
formoterol is an approved drug (FDA (2001))
Compound class: Synthetic organic
Comment: Formoterol is a long-acting inhalation bronchodilator. The approved drug is a racemic mixture of enantiomers; PubChem lists 6 CIDs as isotopes of this molecule. We show the non-chiral molecule here to represent the mixture. The marketed formulation may contain formoterol fumarate (PubChem CID 9912089).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 90.82
Molecular weight 344.17
XLogP 2.21
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O
Isomeric SMILES O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O
InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
InChI Key BPZSYCZIITTYBL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2001))
WHO Essential Medicine WHO Essential Medicines List (EML) (22nd List, 2021). Access PDF version.
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IUPAC Name Click here for help
N-[2-hydroxy-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenyl]formamide
International Nonproprietary Names Click here for help
INN number INN
4935 formoterol
Synonyms Click here for help
BD-40A | CGP-25827A | Foradil® | Oxeze/Oxis® | YM-08316
Database Links Click here for help
CAS Registry No. 73573-87-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1256786
DrugBank Ligand DB00983
DrugCentral Ligand 1239
GtoPdb PubChem SID 178100459
PubChem CID 3410
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UniChem Compound Search for chemical match using the InChIKey BPZSYCZIITTYBL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BPZSYCZIITTYBL-UHFFFAOYSA-N
Wikipedia Arformoterol, Formoterol