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Application Area
Metabolic Research
Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

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.

Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

Nelfinavir-[d3]

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General Information
Catalog: BLP-006058
CAS: 1217629-70-3
Molecular Formula: C32H42D3N3O4S
Molecular Weight: 570.80
Chemical Structure
Nelfinavir-[d3]
Description Nelfinavir-[d3] is the labelled analogue of Nelfinavir, which is a potent and orally bioavailable human immunodeficiency virus HIV-1 protease inhibitor.
Synonyms Nelfinavir D3; Viracept-d3; (3S-(2(2S*,3S*),3alpha,4abeta,8abeta))-N-(1,1-Dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-4-(phenylthio)butyl)-3-isoquinolinecarboxamide-d3
IUPAC Name (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[[3-hydroxy-2-(trideuteriomethyl)benzoyl]amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Related CAS 159989-64-7 (unlabelled)
Canonical SMILES CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O
InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1/i1D3
InChI Key QAGYKUNXZHXKMR-VWGNXJLPSA-N
Boiling Point 786.8±60.0 °C at 760 mmHg
Melting Point 187-190°C
Flash Point 429.7±32.9 °C
Purity ≥96%; ≥98% atom D
Density 1.2±0.1 g/cm3
Solubility Slightly soluble in DMSO, Methanol
Appearance White to Off-white Solid
Storage Store at-20°C under inert atmosphere
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