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Olodaterol Hydrochloride

CAS No.:
869477-96-3
Catalog Number:
AG01CBVI
Molecular Formula:
C21H27ClN2O5
Molecular Weight:
422.9025
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Product Description
Catalog Number:
AG01CBVI
Chemical Name:
Olodaterol Hydrochloride
CAS Number:
869477-96-3
Molecular Formula:
C21H27ClN2O5
Molecular Weight:
422.9025
MDL Number:
MFCD28369297
IUPAC Name:
6-hydroxy-8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
InChI:
InChI=1S/C21H26N2O5.ClH/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17;/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26);1H/t18-;/m0./s1
InChI Key:
KCEHVJZZIGJAAW-FERBBOLQSA-N
SMILES:
COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C.Cl
UNII:
65R445W3V9
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
422.161g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
422.906g/mol
Monoisotopic Mass:
422.161g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Olodaterol: a review of its use in chronic obstructive pulmonary disease. Drugs 20150401
Dual regulation of β2-adrenoceptor messenger RNA expression in human lung fibroblasts by β2-cAMP signaling; delayed upregulated inhibitors oppose a rapid in onset, direct stimulation of gene expression. Naunyn-Schmiedeberg's archives of pharmacology 20140101
Lung function efficacy and symptomatic benefit of olodaterol once daily delivered via Respimat® versus placebo and formoterol twice daily in patients with GOLD 2-4 COPD: results from two replicate 48-week studies. International journal of chronic obstructive pulmonary disease 20140101
Olodaterol: first global approval. Drugs 20131101
Endothelin-1 enhances β₂-adrenoceptor gene transcription in human lung fibroblasts. Life sciences 20121015
β₂-adrenoceptors and muscarinic receptors mediate opposing effects on endothelin-1 expression in human lung fibroblasts. European journal of pharmacology 20120915
β₂ long-acting and anticholinergic drugs control TGF-β1-mediated neutrophilic inflammation in COPD. Biochimica et biophysica acta 20120701
Functional and biochemical rationales for the 24-hour-long duration of action of olodaterol. The Journal of pharmacology and experimental therapeutics 20110601
Pharmacological characterization of olodaterol, a novel inhaled beta2-adrenoceptor agonist exerting a 24-hour-long duration of action in preclinical models. The Journal of pharmacology and experimental therapeutics 20100701
Discovery of olodaterol, a novel inhaled beta2-adrenoceptor agonist with a 24 h bronchodilatory efficacy. Bioorganic & medicinal chemistry letters 20100215
Properties