loading...| Preferred Name |
olodaterol |
|
| Synonyms |
6-hydroxy-8-[(1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-2H-1,4-benzoxazin-3(4H)-one BI 1744 olodaterol |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_82700 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:24269928 CAS:868049-49-4 PMID:20371707 KEGG:D10145 PMID:25114521 Drug_Central:4814 PMID:24307202 PMID:24966672 PMID:25187881 PMID:20096576 Reaxys:12431799 PMID:24247039 Wikipedia:Olodaterol PMID:21839850 PMID:24158691 PMID:25045258 |
|
| definition |
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. |
|
| formula |
C21H26N2O5 |
|
| has_exact_synonym |
6-hydroxy-8-[(1R)-1-hydroxy-2-{[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino}ethyl]-2H-1,4-benzoxazin-3(4H)-one |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
BI 1744 olodaterol |
|
| id |
CHEBI:82700 |
|
| in_subset | ||
| inchi |
InChI=1S/C21H26N2O5/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)/t18-/m0/s1 |
|
| inchikey |
COUYJEVMBVSIHV-SFHVURJKSA-N |
|
| is_conjugate_base_of | ||
| label |
olodaterol |
|
| mass |
386.44150 |
|
| monoisotopicmass |
386.18417 |
|
| notation |
CHEBI:82700 |
|
| prefLabel |
olodaterol |
|
| RO_0000087 | ||
| smiles |
COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_33853 |