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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.

O-Benzyl Posaconazole-[d4]

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General Information
Catalog: BLP-013754
CAS: 1246818-95-0
Molecular Formula: C44H44D4F2N8O4
Molecular Weight: 794.92
Chemical Structure
O-Benzyl Posaconazole-[d4]
Description O-Benzyl Posaconazole-[d4] is the labelled analogue of O-Benzyl Posaconazole, which is an impurity of Posaconazole.
Synonyms O-Benzyl Posaconazole-d4; 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol-d4
IUPAC Name 2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-[2,3,5,6-tetradeuterio-4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Related CAS 170985-86-1 (unlabelled)
Canonical SMILES CCC(C(C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OCC6CC(OC6)(CN7C=NC=N7)C8=C(C=C(C=C8)F)F
InChI InChI=1S/C44H48F2N8O4/c1-3-42(32(2)56-25-33-7-5-4-6-8-33)54-43(55)53(31-49-54)38-12-10-36(11-13-38)50-19-21-51(22-20-50)37-14-16-39(17-15-37)57-26-34-24-44(58-27-34,28-52-30-47-29-48-52)40-18-9-35(45)23-41(40)46/h4-18,23,29-32,34,42H,3,19-22,24-28H2,1-2H3/t32-,34+,42-,44-/m0/s1/i10D,11D,12D,13D
InChI Key XZBSQKGAKKWACB-RBPHCDHPSA-N
Purity ≥98%
Solubility Soluble in Dichloromethane
Appearance Light Purple Foam
Storage Store at -20°C
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