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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.

N-Desmethyl Netupitant-[d6]

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General Information
Catalog: BLP-012898
CAS: 2070015-21-1
Molecular Formula: C29H24D6F6N4O
Molecular Weight: 570.60
Chemical Structure
N-Desmethyl Netupitant-[d6]
Description N-Desmethyl Netupitant-[d6] is the labelled analogue of N-Desmethyl Netupitant, which is a derivative of Netupitant. Netupitant is a selective neurokinin 1 receptor antagonist with potential antiemetic activity.
Synonyms N-Desmethyl Netupitant D6; N,α,α-Trimethyl-N-[4-(2-methylphenyl)-6-(1-piperazinyl)-3-pyridinyl]-3,5-bis(trifluoromethyl)-benzeneacetamide-d6; 2-[3,5-Bis(trifluoromethyl)phenyl]-N-methyl-N-[6-(piperazin-1-yl)-4-o-tolylpyridin-3-yl]isobutyramide-d6
IUPAC Name 2-[3,5-bis(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-methyl-N-[4-(2-methylphenyl)-6-piperazin-1-ylpyridin-3-yl]-2-(trideuteriomethyl)propanamide
Related CAS 290296-72-9 (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)N4CCNCC4
InChI InChI=1S/C29H30F6N4O/c1-18-7-5-6-8-22(18)23-16-25(39-11-9-36-10-12-39)37-17-24(23)38(4)26(40)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17,36H,9-12H2,1-4H3/i2D3,3D3
InChI Key SRVSDBHUBFLSFE-XERRXZQWSA-N
Purity >98%
Appearance White Solid
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