Analyte Name

N-Desmethyl Elexacaftor-d6

Molecular Formula

C25 D6 H26 F3 N7 O4 S

Molecular Weight

589.663

Accurate Mass

589.257

SMILES

[2H]C([2H])([2H])C(COc1ccn(n1)c2ccc(C(=O)NS(=O)(=O)c3c[nH]nc3C)c(n2)N4C[C@@H](C)CC4(C)C)(C([2H])([2H])[2H])C(F)(F)F

InChI

InChI=1S/C25H32F3N7O4S/c1-15-11-24(5,6)34(13-15)21-17(22(36)33-40(37,38)18-12-29-31-16(18)2)7-8-19(30-21)35-10-9-20(32-35)39-14-23(3,4)25(26,27)28/h7-10,12,15H,11,13-14H2,1-6H3,(H,29,31)(H,33,36)/t15-/m0/s1/i3D3,4D3

IUPAC

N-[(3-methyl-1H-pyrazol-4-yl)sulfonyl]-6-[3-[3,3,3-trifluoro-2,2-bis(trideuteriomethyl)propoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat