(±)-Ketoconazole-d4 (piperazine-3,3,5,5-d4)
Product Code
TRC-K186006
CAS Number
Product Format
Neat
Molecular Formula
C26 D4 H24 Cl2 N4 O4
Molecular Weight
535.4556
Product Categories
TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials
Product Type
Stable Isotope LabelledUnlabelled CAS Number
HPLC Purity
>95%
Documentation
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Product Information
Chemical Data
Analyte Name
(±)-Ketoconazole-d4 (piperazine-3,3,5,5-d4)
CAS Number
1398065-75-2
Molecular Formula
C26 D4 H24 Cl2 N4 O4
Molecular Weight
535.4556
Accurate Mass
534.1739
SMILES
[2H]C1([2H])CN(CC([2H])([2H])N1c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2)C(=O)C
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
IUPAC
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
Unlabelled CAS Number
65277-42-1
SIL Type
Deuterium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Stable Isotope Labelled
Product Format
Neat
HPLC Purity
>95%
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