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Ivacaftor-[13C6]

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General Information
Catalog: BLP-005813
Molecular Formula: C18[13C]6H28N2O3
Molecular Weight: 398.45

Chemical Structure

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