(±)-Ketoconazole-d4 (piperazine-3,3,5,5-d4)

Product Specifications

CAS Number

1398065-75-2

Synonyms

rel-1-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl-3,3,5,5-d4]ethanone (ACI); Ketoconazole-d4; Ketoconazole-D4 (1-acetylpiperazine-3,3,5,5-D4)

Hazard Statement

No Data Available

Purity

>95% (HPLC)

Smiles

[2H]C1([2H])CN(CC([2H])([2H])N1c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2)C(=O)C

Molecular Formula

C26 D4 H24 Cl2 N4 O4

Molecular Weight

535.4556

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-/m0/s1/i12D2,13D2

Additionnal Information

IUPAC name: 1-[3,3,5,5-tetradeuterio-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone