Preferred Name |
ivacaftor |
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Synonyms |
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|
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. |
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ID |
http://purl.obolibrary.org/obo/CHEBI_66901 |
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charge |
0 |
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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. |
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formula |
C24H28N2O3 |
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has characteristic | ||
has role | ||
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) |
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inchikey |
PURKAOJPTOLRMP-UHFFFAOYSA-N |
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label |
ivacaftor |
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mass |
392.49070 |
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monoisotopicmass |
392.20999 |
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prefixIRI |
CHEBI:66901 |
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prefLabel |
ivacaftor |
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smiles |
CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C |
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subClassOf |
http://purl.obolibrary.org/obo/CHEBI_62733 http://purl.obolibrary.org/obo/CHEBI_33853 |