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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-[carbonyl-13C]

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General Information
Catalog: BLP-005805
Molecular Formula: C25[13C]H28Cl2N4O4
Molecular Weight: 532.42
Chemical Structure
Ketoconazole-[carbonyl-13C]
Description Ketoconazole-[carbonyl-13C] 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-carbonyl-13C; cis-1-Acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine-13C; (+/-)-Ketoconazole-carbonyl-13C; Ketoconazole carbonyl-13C
IUPAC Name 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl](1-13C)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/i19+1
InChI Key XMAYWYJOQHXEEK-BKCHHFJASA-N
Purity 98% by CP; 99% atom 13C
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