Olodaterol
6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
Molecular Identity
Olodaterol
6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
PubChem CID: 11504295
Olodaterol is a member of the class of benzoxazine that is 6-hydroxy-1,4-benzoxazin-3-one in which the hydrogen at position 4 is replaced by a (1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl group. Used (as its hydrochloride salt) for long-term treatment of airflow obstruction in patients with chronic obstructive pulmonary disease including chronic bronchitis and/or emphysema. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It is a member of phenols, an aromatic ether, a secondary alcohol, a benzoxazine and a secondary amino compound. It is a conjugate base of an olodaterol(1+).
2D Structure
Properties
C21H26N2O5
Molecular Formula
386.40
Molecular Weight
g/mol
386.1842
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
100
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
6
H-Bond Acceptors
521
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(CC1=CC=C(C=C1)OC)NCC(C2=C3C(=CC(=C2)O)NC(=O)CO3)OIsomeric SMILES
SMILES: CC(C)(CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C(=CC(=C2)O)NC(=O)CO3)OSynonyms(20)
OLODATEROL868049-49-4BI-1744BI 17446-Hydroxy-8-[(1R)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]-2H-1,4-benzoxazin-3(4H)-oneVD2YSN1AFDCHEBI:82700DTXSID6010247926-Hydroxy-8-((1R)-1-hydroxy-2-((2-(4-methoxyphenyl)-1,1-dimethylethyl)amino)ethyl)-2H-1,4-benzoxazin-3(4H)-one6-hydroxy-8-[(1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one2H-1,4-BENZOXAZIN-3(4H)-ONE, 6-HYDROXY-8-((1R)-1-HYDROXY-2-((2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYL)AMINO)ETHYL)-6-HYDROXY-8-((1R)-1-HYDROXY-2-((1-(4-METHOXYPHENYL)-2-METHYLPROPAN-2-YL)AMINO)ETHYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE6-hydroxy-8-(1-hydroxy-2-((2-(4-methoxyphenyl)-1,1-dimethylethyl)amino)ethyl)-2H-1,4-benzoxazin-3(4H)-oneolodaterolum6-hydroxy-8-((1R)-1-hydroxy-2-((1-(4-methoxyphenyl)-2-methylpropan-2-yl)amino)ethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
Data from PubChem (NCBI)
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