Tezacaftor-D4

Analyte Name

Tezacaftor cyclopropyl-d4

Molecular Formula

C26 D4 H23 F3 N2 O6

Molecular Weight

524.52

Accurate Mass

524.2072

SMILES

[2H]C1([2H])C([2H])([2H])C1(C(=O)Nc2cc3cc(n(C[C@@H](O)CO)c3cc2F)C(C)(C)CO)c4ccc5OC(F)(F)Oc5c4

InChI

InChI=1S/C26H27F3N2O6/c1-24(2,13-33)22-8-14-7-18(17(27)10-19(14)31(22)11-16(34)12-32)30-23(35)25(5-6-25)15-3-4-20-21(9-15)37-26(28,29)36-20/h3-4,7-10,16,32-34H,5-6,11-13H2,1-2H3,(H,30,35)/t16-/m1/s1/i5D2,6D2

IUPAC

2,2,3,3-tetradeuterio-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(2-hydroxy-1,1-dimethyl-ethyl)indol-5-yl]cyclopropanecarboxamide

Alternate CAS Number

1152311-62-0

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Tezacaftor

Purity

>95% (HPLC)