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Ivacaftor-[d4]

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Ivacaftor-[d4]

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General Information
Catalog: BLP-005812
Molecular Formula: C24H24D4N2O3
Molecular Weight: 396.52

Chemical Structure

Description	Ivacaftor-[d4] is the labelled analogue of Ivacaftor. Ivacaftor is an orally bioavailable potentiator of the cystic fibrosis transmembrane conductance regulator (CFTR) that improves chloride transport.
Synonyms	N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-5,6,7,8-d4-3-carboxamide; VX-770-d4; N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxo-3-quinolinecarboxamide-d4; Kalydeco-d4
IUPAC Name	5,6,7,8-tetradeuterio-N-(2,4-ditert-butyl-5-hydroxyphenyl)-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)/i7D,8D,9D,10D
InChI Key	PURKAOJPTOLRMP-ULDPCNCHSA-N
Purity	98% by CP