API0232992

Deutivacaftor

Deutivacaftor is used for cystic fibrosis and is an orphan drug.

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Pharm Gradet

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Molecular Weight (g/mol)

401.5
Molecular Formula

C24H28N2O3
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)/i4D3,5D3,6D3
InChIKey

PURKAOJPTOLRMP-ASMGOKTBSA-N
SMILES

[2H]C([2H])([2H])C(C1=C(C=C(C(=C1)C(C)(C)C)NC(=O)C2=CNC3=CC=CC=C3C2=O)O)(C([2H])([2H])[2H])C([2H])([2H])[2H]
IUPAC Name

N-[2-tert-butyl-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
Exact Mass (Da)

401.26648347
Monoisotopic Mass (Da)

401.26648347

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