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Ivacaftor-[d18]

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General Information
Catalog: BLP-012401
CAS: 1413431-05-6
Molecular Formula: C24H10D18N2O3
Molecular Weight: 410.6

Chemical Structure

Description	Ivacaftor-[d18] 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	Ivacaftor D18
IUPAC Name	N-[2,4-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-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)/i1D3,2D3,3D3,4D3,5D3,6D3
InChI Key	PURKAOJPTOLRMP-NBDUPMGQSA-N
Purity	95% by HPLC; 95% atom D