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Substance Name: Metbufen [INN]
RN: 63472-04-8
UNII: 8AE88M5N5V
InChIKey: FDRDUFLWFSLNFT-UHFFFAOYSA-N

Molecular Formula

  • C17-H16-O3

Molecular Weight

  • 268.31
 
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Names and Synonyms

Name of Substance

  • Metbufen
  • Metbufen [INN]

Synonyms

  • 3-(4-Biphenylylcarbonyl)-2-methylpropionsaeure
  • 4-(4-Biphenylyl)-2-methyl-4-oxobuttersaeure
  • Metbufen
  • Metbufene
  • Metbufene [French]
  • Metbufene [INN-French]
  • Metbufeno
  • Metbufeno [INN-Spanish]
  • Metbufenum
  • Metbufenum [INN-Latin]
  • Metbufenum [Latin]
  • UNII-8AE88M5N5V

Systematic Names

  • 3-(4-Biphenylylcarbonyl)-2-methylpropionic acid
  • Propionic acid, 3-(4-biphenylylcarbonyl)-2-methyl-

Registry Numbers

CAS Registry Number

  • 63472-04-8

FDA UNII

  • 8AE88M5N5V

System Generated Number

  • 0063472048

Structure Descriptors

InChI

1S/C17H16O3/c1-12(17(19)20)11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,20)

InChIKey

FDRDUFLWFSLNFT-UHFFFAOYSA-N

Smiles

c1(ccccc1)c1ccc(cc1)C(=O)C[C@@H](C)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.4 (none)   EXP
Water Solubility 57.9 mg/L 25 EST
Vapor Pressure 6.04E-08 mm Hg 25 EST
Henry's Law Constant 9.87E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.37E-11 cm3/molecule-sec 25 EST

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