arformoterol   

GtoPdb Ligand ID: 7479

Synonyms: Brovana® | YM-08316
arformoterol is an approved drug (FDA (2006))
Compound class: Synthetic organic
Comment: Arformoterol is the active (R,R)-enantiomer of formoterol. The marketed product contains arformoterol tartrate (PubChem CID 9827062).
2D Structure
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Physico-chemical Properties
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
Canonical SMILES O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O
Isomeric SMILES O=CNc1cc(ccc1O)[C@H](CN[C@@H](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)/t13-,19+/m1/s1
InChI Key BPZSYCZIITTYBL-YJYMSZOUSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2006))
IUPAC Name
N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide
Synonyms
Brovana® | YM-08316
Comments
Arformoterol is the active (R,R)-enantiomer of formoterol. The marketed product contains arformoterol tartrate (PubChem CID 9827062).
Database Links
CAS Registry No. 67346-49-0
ChEBI CHEBI:408174
ChEMBL Ligand CHEMBL1363
DrugBank Ligand DB01274
DrugCentral Ligand 4943
GtoPdb PubChem SID 187051782
PubChem CID 3083544
RCSB PDB Ligand H98
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Wikipedia Arformoterol