loading...| Preferred Name |
ivacaftor |
|
| Synonyms |
ivacaftor Kalydeco VX-770 ivacaftorum N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide |
|
| Definitions |
An aromatic amide obtained by formal condensation of the carboxy group of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid with the amino group of 5-amino-2,4-di-tert-butylphenol. Used for the treatment of cystic fibrosis. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_66901 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22543461 PMID:22508750 PMID:22293084 PMID:22618984 PMID:22047557 PMID:22698459 KEGG:D09916 PMID:22739718 PMID:22723294 Reaxys:11821038 CAS:873054-44-5 PMID:22383668 Wikipedia:Ivacaftor PMID:22768130 PMID:22499233 Drug_Central:4228 |
|
| definition |
An aromatic amide obtained by formal condensation of the carboxy group of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid with the amino group of 5-amino-2,4-di-tert-butylphenol. Used for the treatment of cystic fibrosis. |
|
| formula |
C24H28N2O3 |
|
| has role | ||
| has_exact_synonym |
N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
ivacaftor Kalydeco VX-770 ivacaftorum |
|
| id |
CHEBI:66901 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) |
|
| inchikey |
PURKAOJPTOLRMP-UHFFFAOYSA-N |
|
| label |
ivacaftor |
|
| mass |
392.49070 |
|
| monoisotopicmass |
392.20999 |
|
| notation |
CHEBI:66901 |
|
| prefLabel |
ivacaftor |
|
| smiles |
CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_62733 http://purl.obolibrary.org/obo/CHEBI_33853 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_62733 http://purl.obolibrary.org/obo/CHEBI_33853 |