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Substance Name: Bosentan [USAN:INN:BAN]
RN: 157212-55-0
UNII: Q326023R30
InChIKey: SXTRWVVIEPWAKM-UHFFFAOYSA-N

Note

  • Endothelin receptor antagonist.

Molecular Formula

  • C27-H29-N5-O6-S.H2-O

Molecular Weight

  • 569.6359
 

Classification Codes

  • Antagonist (Endothelin Receptor)
  • Antihypertensive Agents
  • Cardiovascular Agents
  • Endothelin Receptor Antagonists

Names and Synonyms

Name of Substance

  • Bosentan [USAN:INN:BAN]

Synonyms

  • Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-, monohydrate
  • Bosentan
  • Bosentan hydrate
  • p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide monohydrate
  • Ro 47-0203/029
  • Tracleer
  • UNII-Q326023R30

Systematic Name

  • Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-, monohydrate

Registry Numbers

CAS Registry Number

  • 157212-55-0

FDA UNII

  • Q326023R30

System Generated Number

  • 0157212550

Molecular Formulas

Molecular Formula

  • C27-H29-N5-O6-S.H2-O

Molecular Formula Fragments

  • C27-H29-N5-O6-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H29N5O6S.H2O/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);1H2

InChIKey

SXTRWVVIEPWAKM-UHFFFAOYSA-N

Smiles

CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC.O