Preferred Name |
fexofenadine |
|
Synonyms |
Fexofenadine Terfenadine acid metabolite Terfenadine-COOH 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid Carboxyterfenadine Terfenadine carboxylate |
|
Definitions |
A piperidine-based anti-histamine compound. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_5050 |
|
charge |
0 |
|
database_cross_reference |
KEGG:D07958 LINCS:LSM-1770 Drug_Central:1170 KEGG:C06999 Wikipedia:Fexofenadine Beilstein:6832242 CAS:83799-24-0 DrugBank:DB00950 Patent:DE3007498 Patent:US4254129 |
|
definition |
A piperidine-based anti-histamine compound. |
|
formula |
C32H39NO4 |
|
has exact synonym |
Fexofenadine |
|
has functional parent | ||
has role | ||
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
Terfenadine acid metabolite Terfenadine-COOH 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid Carboxyterfenadine Terfenadine carboxylate |
|
id |
CHEBI:5050 |
|
in_subset | ||
inchi |
InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) |
|
inchikey |
RWTNPBWLLIMQHL-UHFFFAOYSA-N |
|
label |
fexofenadine |
|
mass |
501.65640 |
|
monoisotopicmass |
501.28791 |
|
notation |
CHEBI:5050 |
|
prefLabel |
fexofenadine |
|
smiles |
CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1 |
|
subClassOf |