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Home> Hot Product Listed B   > bosentan
1152519-74-8 structure

bosentan

Iupac Name:2-ethylpyrimidin-5-amine
CAS No.:1152519-74-8
Molecular Weight:123.159
Molecular Formula:C18H17CLN2O2 (isomer)
Names and Identifiers
Synonyms

4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulf 4-TERT-BUTYL-N-(6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)-2,2''-BIPYRIMIDIN-4-YL)BENZENESULFONAMIDE benzenesulfonamide,4-(1,1-dimethylethyl)-n-(6-(2-hydroxyethoxy)-5-(2-methoxyph Bosentan (Benzenesulfonamide) bosentan , CID 104865 Bosentan 13C6 Bosentan impurity Bosentan, 99%, a endothelin (ET) receptor antagonist p-tert-Butyl-N-[6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide ro47-0203 Ro-47-0203, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2bipyrimidin]-4-yl]benzenesulfonamide ro47-0203/039

Inchi
InChI=1S/C6H9N3/c1-2-6-8-3-5(7)4-9-6/h3-4H,2,7H2,1H3
InChkey
BUOOSXRJFONRBI-UHFFFAOYSA-N
Canonical Smiles
CCC1=NC=C(C=N1)N
Properties
Appearance
Pale Yellow to Off-White Solid
Density
1.16
Boiling Point
289°Cat760mmHg
Flash Point
143.5 °C
Safety and Handling
Safety

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.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:123.159g/mol
  • Molecular Formula:C18H17CLN2O2
  • Compound Is Canonicalized:True
  • Exact Mass:123.08
  • Monoisotopic Mass:123.08
  • Complexity:76.4
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:51.8A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAQAAAACAjBEwQv0JZIEACg ABZnZACAgCkREqABUCA4dBCASIBASUAUBAgIEALAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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