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147536-97-8

Basic Information
CAS No.: 147536-97-8
Name: Bosentan
Molecular Structure:
Molecular Structure of 147536-97-8 (Bosentan)
Formula: C27H29N5O6S
Molecular Weight: 551.67
Synonyms: Actelion;Ro 47-0203;Ro 47-0203/039;Tracleer;p-tert-Butyl-N-[6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide;Benzenesulfonamide,4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-;
EINECS: 643-099-1
Density: 1.326 g/cm3
Melting Point: 171-175°C(lit.)
Boiling Point: 742.3 ºC at 760 mmHg
Flash Point: 402.8 ºC
Solubility:
Appearance: pale yellow to off-white solid
Hazard Symbols: Xi
Risk Codes: R36; R43
Safety:
Transport Information:
PSA: 154.03000
LogP: 5.35770
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    Bosentan Basic information Product Name: Bosentan Synonyms: 2’-bipyrimidin)-4-yl)-enoxy)(;benzenesulfonamide,4-(1,1-dimethylethyl)-n-(6-(2-hydroxyethoxy)-5-(2-methoxyph;ro47-0203;ro47-0203/039;BOSENTAN;Ro-47-0203, 4-(1,1-dimethylethyl)-N-[6

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Chemistry


Molecular Formula: C27H29N5O6S
Molar mass: 551.61 g/mol
Index of Refraction: 1.607
Molar Refractivity: 143.699 cm3
Molar Volume: 416.023 cm3
Surface Tension: 60.676 dyne/cm
Density: 1.326 g/cm3
Flash Point: 402.754 °C
Enthalpy of Vaporization: 113.612 kJ/mol
Boiling Point: 742.342 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Appearance: Pale yellow to off-White solid
Product categories of Bosentan (CAS NO.147536-97-8): Bases & Related Reagents ;Pharmaceuticals; Nucleotides
XLogP3-AA: 3.8
H-Bond Donor: 2
H-Bond Acceptor: 11
IUPAC Name: 4-Tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
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) 
InChIKey: GJPICJJJRGTNOD-UHFFFAOYSA-N

Uses

  Bosentan (CAS NO.147536-97-8) can be used for intermediates and is a fine Chemical.It is indicated mainly for the treatment of pulmonary hypertension, and has been approved in the European Union also for reducing the number of new digital ulcers in patients with systemic sclerosis and ongoing digital ulcer disease.In the United States,it is indicated for the treatment of pulmonary arterial hypertension in patients with WHO Class II-IV symptoms, to improve exercise capacity and decrease the rate of clinical worsening.

Safety Profile

Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and SOx.

Specification

  Bosentan (CAS NO.147536-97-8) can be called Tracleer ; 4-Tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide ; N-[6-(2-Hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide .It is a dual endothelin receptor antagonist important in the treatment of pulmonary artery hypertension (PAH). It is licensed in the European Union, the United States and other countries by Actelion Pharmaceuticals for the management of PAH under the trade name Tracleer.