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Product Overview

Product Code

TRC-K186006

CAS Number

1398065-75-2

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 , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

65277-42-1

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

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Product Overview

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Chemical Data

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

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