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Substance Name: Flubepride [INN]
RN: 56488-61-0
UNII: UU4X6T9FT5
InChIKey: DZSKXGDTCMADPR-UHFFFAOYSA-N

Molecular Formula

  • C20-H24-F-N3-O4-S

Molecular Weight

  • 421.4906
 
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Names and Synonyms

Name of Substance

  • Flubepride [INN]

Synonyms

  • Flubepride
  • N-((1-(p-Fluorobenzyl)-2-pyrrolidinyl)methyl)-5-sulfamoyl-o-anisamide
  • UNII-UU4X6T9FT5

Systematic Name

  • N-((1-(p-Fluorobenzyl)-2-pyrrolidinyl)methyl)-5-sulfamoyl-o-anisamide.

Registry Numbers

CAS Registry Number

  • 56488-61-0

FDA UNII

  • UU4X6T9FT5

System Generated Number

  • 0056488610

Structure Descriptors

InChI

1S/C20H24FN3O4S/c1-28-19-9-8-17(29(22,26)27)11-18(19)20(25)23-12-16-3-2-10-24(16)13-14-4-6-15(21)7-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25)(H2,22,26,27)

InChIKey

DZSKXGDTCMADPR-UHFFFAOYSA-N

Smiles

COc1ccc(cc1C(=O)NCC2CCCN2Cc3ccc(cc3)F)S(=O)(=O)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.46 (none)   EXP
Water Solubility 17.8 mg/L 25 EST
Vapor Pressure 2.07E-13 mm Hg 25 EST
Henry's Law Constant 1.09E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.19E-10 cm3/molecule-sec 25 EST

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