loading...| Preferred Name |
trospium |
|
| Synonyms |
(1S,3R,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium (1alpha,3beta,5alpha)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium] tropsium cation tropsium ion |
|
| Definitions |
A carboxylic ester resulting from the formal condensation of the carboxy group of hydroxy(diphenyl)acetic acid with the hydroxy group of (1S,3R,5R)-3-hydroxy-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium. Its chloride salt is used to treat overactive bladder. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_145791 |
|
| charge |
+1 |
|
| database_cross_reference |
Drug_Central:2776 PMID:30697533 DrugBank:DB00209 PMID:31602966 PMID:30656943 PMID:26186951 PMID:28247723 CAS:47608-32-2 HMDB:HMDB0014354 PMID:21212936 |
|
| definition |
A carboxylic ester resulting from the formal condensation of the carboxy group of hydroxy(diphenyl)acetic acid with the hydroxy group of (1S,3R,5R)-3-hydroxy-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium. Its chloride salt is used to treat overactive bladder. |
|
| formula |
C25H30NO3 |
|
| has role | ||
| has_exact_synonym |
(1S,3R,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(1alpha,3beta,5alpha)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium] tropsium cation tropsium ion |
|
| id |
CHEBI:145791 |
|
| in_subset | ||
| inchi |
InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23+ |
|
| inchikey |
OYYDSUSKLWTMMQ-JKHIJQBDSA-N |
|
| label |
trospium |
|
| mass |
392.518 |
|
| monoisotopicmass |
392.22202 |
|
| notation |
CHEBI:145791 |
|
| prefLabel |
trospium |
|
| smiles |
[N+]12([C@]3(C[C@H](OC(C(C4=CC=CC=C4)(C5=CC=CC=C5)O)=O)C[C@@]1(CC3)[H])[H])CCCC2 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_33308 http://purl.obolibrary.org/obo/CHEBI_38295 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33308 http://purl.obolibrary.org/obo/CHEBI_38295 |