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Product Overview

Product Code

TRC-D198957

CAS Number

1346602-18-3

Product Format

Neat

Molecular Formula

C24 D8 H18 Cl2 N4 O3

Molecular Weight

497.443

Unlabelled CAS Number

1100930-35-5

Documentation

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Product Information

Analyte Name

Deacetyl Ketoconazole-d8

CAS Number

1346602-18-3

Molecular Formula

C24 D8 H18 Cl2 N4 O3

Molecular Weight

497.443

Accurate Mass

496.188

SMILES

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

InChI

InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2/t21-,24-/m0/s1/i8D2,9D2,11D2,12D2

IUPAC

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

Unlabelled CAS Number

1100930-35-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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