Preferred Name |
Flavoxate |
|
Synonyms |
2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate Flavoxate 2-piperidinoethyl 3-methylflavone-8-carboxylate 2-(1-piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate 2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate beta-piperidinoethyl 3-methylflavone-8-carboxylate flavoxate flavoxato flavoxatum |
|
Definitions |
A carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_5088 |
|
charge |
0 |
|
database_cross_reference |
KEGG:C07809 Reaxys:1300115 Drug_Central:1175 Wikipedia:Flavoxate LINCS:LSM-3050 KEGG:D07961 Patent:US3350411 CAS:15301-69-6 Patent:US2921070 DrugBank:DB01148 |
|
formula |
C24H25NO4 |
|
has functional parent | ||
has role |
http://purl.obolibrary.org/obo/CHEBI_53784 |
|
has_exact_synonym |
2-(piperidin-1-yl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate Flavoxate |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
2-piperidinoethyl 3-methylflavone-8-carboxylate 2-(1-piperidinyl)ethyl 3-methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylate 2-piperidinoethyl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate beta-piperidinoethyl 3-methylflavone-8-carboxylate flavoxate flavoxato flavoxatum |
|
has_RxCUI |
4440 |
|
id |
CHEBI:5088 |
|
in_subset | ||
inchi |
InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3 |
|
inchikey |
SPIUTQOUKAMGCX-UHFFFAOYSA-N |
|
is conjugate base of | ||
label |
Flavoxate flavoxate |
|
mass |
391.45960 |
|
monoisotopicmass |
391.17836 |
|
notation |
CHEBI:5088 |
|
prefixIRI |
CHEBI:5088 |
|
prefLabel |
Flavoxate |
|
smiles |
Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1 |
|
textual definition |
A carboxylic ester resulting from the formal condensation of 3-methylflavone-8-carboxylic acid with 2-(1-piperidinyl)ethanol. |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33308 http://purl.obolibrary.org/obo/CHEBI_24043 |