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Application Area
Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Clinical diagnostic
Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Ketoconazole-[d3]

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General Information
Catalog: BLP-011597
CAS: 1217766-70-5
Molecular Formula: C26H25D3Cl2N4O4
Molecular Weight: 534.45
Chemical Structure
Ketoconazole-[d3]
Description Ketoconazole-[d3] is the labelled analogue of Ketoconazole, which is an inhibitor of cytochrome P-450 dependent enzymes in the biosynthesis of steroid hormones in vivo.
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]ethanone-d3; cis-1-Acetyl-d3-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine; (+/-)-Ketoconazole-d3; Brizoral-d3; Fungarest-d3; Fungoral-d3; Ketoderm-d3; Ketoisdin-d3; Ketozoral-d3; Nizoral-d3; Nizral-d3; Onofin K-d3; Orifungal M-d3; Panfungol-d3; R 41400-d3
IUPAC Name 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Related CAS 65277-42-1 (unlabelled)
Canonical SMILES CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
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/i1D3
InChI Key XMAYWYJOQHXEEK-SIULDFEJSA-N
Melting Point 147-149°C
Purity 98% by HPLC; 99% atom D
Solubility Soluble in Chloroform (Slightly), Methanol (Slightly, Heated)
Appearance Off-white to Pale Yellow Solid
Storage Store at -20°C
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