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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.

Fluconazole-[d4]

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General Information
Catalog: BLP-012679
CAS: 1124197-58-5
Molecular Formula: C13H8D4F2N6O
Molecular Weight: 310.30
Chemical Structure
Fluconazole-[d4]
Description Fluconazole-[d4] is the labelled analogue of Fluconazole. Fluconazole is a triazole antifungal agent that is effective against most Candida strains.
Synonyms Fluconazole D4; α-(2,4-Difluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazol-1-ethanol-d4
IUPAC Name 1,1,3,3-tetradeuterio-2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
Related CAS 86386-73-4 (unlabelled)
Isomeric SMILES [2H]C([2H])(C(C1=C(C=C(C=C1)F)F)(C([2H])([2H])N2C=NC=N2)O)N3C=NC=N3
Canonical SMILES C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2/i4D2,5D2
InChI Key RFHAOTPXVQNOHP-CQOLUAMGSA-N
Boiling Point 579.8±60.0 °C at 760 mmHg
Melting Point 136-138°C
Purity 95% by HPLC; 95% atom D
Density 1.5±0.1 g/cm3
Solubility Soluble in DMSO, Ethanol, Methanol
Appearance White to Off-white Solid
Storage Store at -20°C
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