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Substance Name: Fexinidazole [INN]
RN: 59729-37-2
UNII: 306ERL82IR
InChIKey: MIWWSGDADVMLTG-UHFFFAOYSA-N

Molecular Formula

  • C12-H13-N3-O3-S

Molecular Weight

  • 279.3187
 
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Names and Synonyms

Name of Substance

  • Fexinidazole
  • Fexinidazole [INN]

Synonyms

  • 1-Methyl-2-((p-(methylthio)phenoxy)methyl)-5-nitroimidazole
  • Fexinidazol
  • Fexinidazol [INN-Spanish]
  • Fexinidazole
  • Fexinidazolum
  • Fexinidazolum [INN-Latin]
  • UNII-306ERL82IR

Systematic Name

  • 1-Methyl-2-((p-(methylthio)phenoxy)methyl)-5-nitroimidazole

Registry Numbers

CAS Registry Number

  • 59729-37-2

FDA UNII

  • 306ERL82IR

System Generated Number

  • 0059729372

Structure Descriptors

InChI

1S/C12H13N3O3S/c1-14-11(13-7-12(14)15(16)17)8-18-9-3-5-10(19-2)6-4-9/h3-7H,8H2,1-2H3

InChIKey

MIWWSGDADVMLTG-UHFFFAOYSA-N

Smiles

Cn1c(cnc1COc2ccc(cc2)SC)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.5 (none)   EXP
Water Solubility 48.3 mg/L 25 EST
Vapor Pressure 1.49E-08 mm Hg 25 EST
Henry's Law Constant 4.40E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.39E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.