loading...| Preferred Name |
aclidinium |
|
| Synonyms |
(3R)-3-[2-hydroxy(di-2-thienyl)acetoxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane |
|
| Definitions |
A carboxylic ester obtained by formal condensation between the carboxy group of 2-hydroxy(di-2-thienyl)acetic acid and the hydroxy group of N-(3-phenoxypropyl)-3-quinuclidinol. Used as its bromide salt for the long-term maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_65346 |
|
| charge |
+1 |
|
| database_cross_reference |
PMID:20525722 Drug_Central:4484 PMID:21628603 |
|
| formula |
C26H30NO4S2 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
(3R)-3-[2-hydroxy(di-2-thienyl)acetoxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane |
|
| has_obo_namespace |
chebi_ontology |
|
| has_RxCUI |
1303098 |
|
| id |
CHEBI:65346 |
|
| in_subset | ||
| inchi |
InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1 |
|
| inchikey |
ASMXXROZKSBQIH-VITNCHFBSA-N |
|
| label |
aclidinium |
|
| mass |
484.65100 |
|
| monoisotopicmass |
484.16108 |
|
| notation |
CHEBI:65346 |
|
| prefixIRI |
CHEBI:65346 |
|
| prefLabel |
aclidinium |
|
| smiles |
OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |
|
| textual definition |
A carboxylic ester obtained by formal condensation between the carboxy group of 2-hydroxy(di-2-thienyl)acetic acid and the hydroxy group of N-(3-phenoxypropyl)-3-quinuclidinol. Used as its bromide salt for the long-term maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD). |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_26961 |