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Substance Name: Edonentan [USAN:INN]
RN: 264609-13-4
UNII: 2CCC8CH216
InChIKey: VRUJTPHFVRXEPB-UHFFFAOYSA-N

Classification Code

  • Treatment of Heart Failure (Endothelin a(ETA) Inhibitor)

Molecular Formula

  • C28-H32-N4-O5-S.H2-O

Molecular Weight

  • 554.6646
 
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Names and Synonyms

Name of Substance

  • Edonentan [USAN:INN]

Synonyms

  • BMS-207940 (monohydrate)
  • BMS-207940-02
  • Butanamide, N-((2'-(((4,5-dimethyl-3-isoxazolyl) amino)sulfonyl)-4-(2-oxazolyl) (1,1'-biphenyl)-2-yl)methyl)-N,3,3-trimethyl-, monohydrate
  • Edonentan
  • Edonentan monohydrate
  • N-(2-(2-((4,5-Dimethylisoxazol-3-yl)sulfamoyl)phenyl)-5-(oxazol-2-yl)benzyl)-N,3,3-trimethylbutanamide, monohydrate
  • UNII-2CCC8CH216

Systematic Names

  • Butanamide, N-((2'-(((4,5-dimethyl-3-isoxazolyl)amino)sulfonyl)-4-(2-oxazolyl) (1,1'-biphenyl)-2-yl)methyl)-N,3,3-trimethyl-, monohydrate
  • N-(2-(2-((4,5-dimethylisoxazol-3-yl)sulfamoyl)phenyl)-5-(oxazol-2-yl)benzyl-N,3,3-trimethylbutanamide, monohydrate

Registry Numbers

CAS Registry Number

  • 264609-13-4

FDA UNII

  • 2CCC8CH216

System Generated Number

  • 0264609134

Molecular Formulas

Molecular Formula

  • C28-H32-N4-O5-S.H2-O

Molecular Formula Fragments

  • C28-H32-N4-O5-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H32N4O5S.H2O/c1-18-19(2)37-30-26(18)31-38(34,35)24-10-8-7-9-23(24)22-12-11-20(27-29-13-14-36-27)15-21(22)17-32(6)25(33)16-28(3,4)5;/h7-15H,16-17H2,1-6H3,(H,30,31);1H2

InChIKey

VRUJTPHFVRXEPB-UHFFFAOYSA-N

Smiles

Cc1c(onc1NS(=O)(=O)c2ccccc2c3ccc(cc3CN(C)C(=O)CC(C)(C)C)c4ncco4)C.O