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Ivacaftor-[13C6]

General Information
Catalog: BLP-005813
Molecular Formula: C18[13C]6H28N2O3
Molecular Weight: 398.45
Chemical Structure
Ivacaftor-[13C6]
Description Ivacaftor-[13C6] is the labelled analogue of Ivacaftor. Ivacaftor is an orally bioavailable potentiator of the cystic fibrosis transmembrane conductance regulator (CFTR) that improves chloride transport. Ivacaftor is used in the treatment of cystic fibrosis.
Synonyms N-[2,4-Bis(tert-butyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide-13C6; VX-770-13C6; N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide-13C6; Kalydeco-13C6
IUPAC Name N-(4,6-ditert-butyl-3-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-oxo-1H-quinoline-3-carboxamide
Related CAS 873054-44-5 (unlabelled)
Canonical SMILES CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C
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)/i11+1,12+1,16+1,17+1,19+1,20+1
InChI Key PURKAOJPTOLRMP-FMJRAEIWSA-N

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