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Product Overview

Product Code

TRC-K186002

CAS Number

1217706-96-1

Product Format

Neat

Molecular Formula

C26H20D8Cl2N4O4

Molecular Weight

539.48

API Family

Ketoconazole

Product Categories

Enzyme inhibitors, TRC, Hormones, Enzyme inhibitors, API Reference Standards & Research Materials, Additional Cancer Bioactive Molecules, Stable isotopes, Lipoxygenase, Stroke, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials , Neurology Research Chemicals and Analytical Standards, Cancer Research Chemicals and Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive small molecule, Stable Isotope Labelled, API

Unlabelled CAS Number

65277-42-1

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Ketoconazole-d8

CAS Number

1217706-96-1

Molecular Formula

C26H20D8Cl2N4O4

Molecular Weight

539.48

SMILES

ClC1=CC(Cl)=CC=C1[C@]2(CN3C=NC=C3)O[C@@H](COC(C=C4)=CC=C4N5C([2H])([2H])C([2H])([2H])N(C(C)=O)C([2H])([2H])C5([2H])[2H])CO2

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/i10D2,11D2,12D2,13D2

Unlabelled CAS Number

65277-42-1

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Ketoconazole

Purity

>95% (HPLC)

Product Description

Deuterated Ketoconazole, an inhibitor of cytochrome P-450 dependent steps in the biosynthesis of steroid hormones in vivo. Antimetastatic and antineoplastic activity. Orally active 5-lipoxygenase and thromboxane synthase inhibitor.

References: Lambert, A., et al.: Biochem. Pharmacol., 35, 3999 (1986), Van Wauwe, J.P. and Janssen, P.A.J., J. Med. Chem., 32, 2231 (1989), Nardone, P.A., et al.: . Surg. Res., 44, 425 (1988), Tucker, W.F.G., et al.: Br. Med. J., 293, 882 (1986)

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