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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.

Netupitant N-oxide-[d6]

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General Information
Catalog: BLP-012899
CAS: 2070015-12-0
Molecular Formula: C30H26D6F6N4O2
Molecular Weight: 600.64
Chemical Structure
Netupitant N-oxide-[d6]
Description Netupitant N-oxide-[d6] is the labelled analogue of Netupitant N-oxide, which is a derivative of Netupitant. Netupitant is a selective neurokinin 1 receptor antagonist with potential antiemetic activity.
Synonyms Netupitant N-oxide D6; N,α,α-Trimethyl-N-[6-(4-methyl-4-oxido-1-piperazinyl)-4-(2-methylphenyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-benzeneacetamide-d6
IUPAC Name 2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-methyl-N-[6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-4-(2-methylphenyl)pyridin-3-yl]-2-(trideuteriomethyl)propanamide
Related CAS 910808-11-6 (unlabelled)
Canonical SMILES CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[N+](CC4)(C)[O-]
InChI InChI=1S/C30H32F6N4O2/c1-19-8-6-7-9-23(19)24-17-26(39-10-12-40(5,42)13-11-39)37-18-25(24)38(4)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3/i2D3,3D3
InChI Key FKUOVQVMCOPBJS-XERRXZQWSA-N
Purity 98% by HPLC
Solubility Soluble in DMSO (Slightly, Heated), Methanol (Slightly)
Appearance Pale Yellow Solid
Storage Store at -20°C under inert atmosphere
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