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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.

Macitentan-[d4]

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General Information
Catalog: BLP-012425
CAS: 1258428-05-5
Molecular Formula: C19H16D4Br2N6O4S
Molecular Weight: 592.30
Chemical Structure
Macitentan-[d4]
Description Macitentan-[d4] is the labelled analogue of Macitentan. Macitentan, is an orally active endothelin receptor antagonist used for pulmonary arterial hypertension.
Synonyms Macitentan D4; N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propyl-Sulfamide d4
IUPAC Name 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
Related CAS 441798-33-0 (unlabelled)
Canonical SMILES CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br
InChI InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)/i8D2,9D2
InChI Key JGCMEBMXRHSZKX-LZMSFWOYSA-N
Boiling Point 692.4±65.0 °C at 760 mmHg
Melting Point 134-136°C
Purity 98% by HPLC; 98% atom D
Density 1.7±0.1 g/cm3
Solubility Soluble in DMSO, Methanol
Appearance White to Off-white Solid
Storage Store at -20°C
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