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The Drug Ontology
Last uploaded:
December 20, 2024
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| Preferred Name | cyclandelate | |
| Synonyms |
cyclandelatum 3,3,5-trimethylcyclohexyl mandelate ciclandelato cyclandelate 3,5,5-trimethylcyclohexyl amygdalate 3,3,5-trimethylcyclohexyl hydroxy(phenyl)acetate |
|
| Definitions |
The ester obtained by formal condensation of mandelic acid and 3,3,5-tricyclohexanol. It is a direct-acting smooth muscle relaxant used to dilate blood vessels. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3988 |
|
| alternative label |
cyclandelatum 3,3,5-trimethylcyclohexyl mandelate ciclandelato cyclandelate 3,5,5-trimethylcyclohexyl amygdalate 3,3,5-trimethylcyclohexyl hydroxy(phenyl)acetate
|
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D00286 CAS:456-59-7 Beilstein:2216626 DrugBank:DB04838 Drug_Central:747
|
|
| definition |
The ester obtained by formal condensation of mandelic acid and 3,3,5-tricyclohexanol. It is a direct-acting smooth muscle relaxant used to dilate blood vessels.
|
|
| formula |
C17H24O3
|
|
| has characteristic | ||
| has functional parent | ||
| has role | ||
| has_exact_synonym |
3,3,5-trimethylcyclohexyl hydroxy(phenyl)acetate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
cyclandelatum 3,3,5-trimethylcyclohexyl mandelate ciclandelato cyclandelate 3,5,5-trimethylcyclohexyl amygdalate
|
|
| has_RxCUI |
2970
|
|
| id |
CHEBI:3988
|
|
| in_subset | ||
| inchi |
InChI=1S/C17H24O3/c1-12-9-14(11-17(2,3)10-12)20-16(19)15(18)13-7-5-4-6-8-13/h4-8,12,14-15,18H,9-11H2,1-3H3
|
|
| inchikey |
WZHCOOQXZCIUNC-UHFFFAOYSA-N
|
|
| label |
cyclandelate
|
|
| mass |
276.37070
|
|
| monoisotopicmass |
276.17254
|
|
| notation |
CHEBI:3988
|
|
| prefLabel |
cyclandelate
|
|
| smiles |
CC1CC(CC(C)(C)C1)OC(=O)C(O)c1ccccc1
|
|
| subClassOf |
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