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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.

Bosentan-[d4]

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General Information
Catalog: BLP-011816
CAS: 1065472-77-6
Molecular Formula: C27H25D4N5O6S
Molecular Weight: 555.65
Chemical Structure
Bosentan-[d4]
Description Bosentan-[d4] is the labelled analogue of Bosentan. Bosentan is an endothelin receptor antagonist indicated for pulmonary artery hypertension (PAH).
Synonyms Bosentan D4; 4-(1,1-Dimethylethyl)-N-[6-(2-hydroxyethoxy-d4)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide; p-tert-Butyl-N-[6-(2-hydroxyethoxy-d4)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide; Actelion-d4; Ro 47-0203-d4; Tracleer-d4
IUPAC Name 4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)pyrimidin-4-yl]benzenesulfonamide
Related CAS 147536-97-8 (unlabelled)
Canonical SMILES CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC
InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)/i16D2,17D2
InChI Key GJPICJJJRGTNOD-RZOBCMOLSA-N
Melting Point 97-104°C
Purity ≥96% by HPLC; ≥99% atom D
Solubility Soluble in Chloroform (Slightly), Methanol (Very Slightly)
Appearance Off-White to Pale Yellow Solid
Storage Store at -20°C
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