Analyte Name

(2R,4R)-trans-Ketoconazole-d8

Molecular Formula

C26 D8 H20 Cl2 N4 O4

Molecular Weight

539.48

Accurate Mass

538.199

SMILES

[2H]C1([2H])N(C(=O)C)C([2H])([2H])C([2H])([2H])N(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2)C1([2H])[2H]

InChI

InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m1/s1/i10D2,11D2,12D2,13D2

IUPAC

1-[2,2,3,3,5,5,6,6-octadeuterio-4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

Unlabelled CAS Number

142128-58-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat