loading...| Preferred Name |
clidinium |
|
| Synonyms |
3-hydroxy-1-methylquinuclidinium benzilate ester N-methyl quinuclidinyl benzilate 3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo[2.2.2]octane 3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane CLIDINIUM Clidinium |
|
| Definitions |
The ester resulting from formal condensation of benzilic acid and 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane. It is used, generally as the bromide, for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3743 |
|
| alternative term |
3-hydroxy-1-methylquinuclidinium benzilate ester N-methyl quinuclidinyl benzilate 3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo[2.2.2]octane 3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane CLIDINIUM Clidinium |
|
| bearer of |
http://purl.obolibrary.org/obo/CHEBI_38070 |
|
| charge |
+1 |
|
| database_cross_reference |
Beilstein:8798002 KEGG:C07853 DrugBank:DB00771 CAS:7020-55-5 |
|
| definition |
The ester resulting from formal condensation of benzilic acid and 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane. It is used, generally as the bromide, for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome. |
|
| formula |
C22H26NO3 |
|
| has_alternative_id |
CHEBI:126351 |
|
| has_exact_synonym |
3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane CLIDINIUM Clidinium |
|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3-hydroxy-1-methylquinuclidinium benzilate ester N-methyl quinuclidinyl benzilate 3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo[2.2.2]octane |
|
| id |
CHEBI:3743 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1/t17-,20?,23+ |
|
| inchikey |
HOOSGZJRQIVJSZ-NNBUQUNQSA-N |
|
| label |
clidinium |
|
| mass |
352.44670 |
|
| monoisotopicmass |
352.19072 |
|
| notation |
CHEBI:3743 |
|
| prefLabel |
clidinium |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_38070 |
|
| smiles |
C[N@@+]12CC[C@@H](CC1)C(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |
|
| subClassOf |