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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-[d6]

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General Information
Catalog: BLP-012473
CAS: 2070015-31-3
Molecular Formula: C30H26D6F6N4O
Molecular Weight: 584.63
Chemical Structure
Netupitant-[d6]
Description Netupitant-[d6] is the labelled analogue of Netupitant, which is a selective neurokinin 1 receptor antagonist with potential antiemetic activity.
Synonyms Netupitant D6
IUPAC Name 2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-methyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2-(trideuteriomethyl)propanamide
Related CAS 290297-26-6 (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)N4CCN(CC4)C
InChI InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)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 WAXQNWCZJDTGBU-XERRXZQWSA-N
Boiling Point 597.4±50.0 °C at 760 mmHg
Purity 98% by HPLC; 98% atom D
Density 1.3±0.1 g/cm3
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