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Substance Name: L-Lysine, mono((+-)-2',4'-difluoro-alpha-methyl-gamma-oxo(1,1-biphenyl)-4-butanoate)
RN: 161692-95-1
InChIKey: UQANTCBTGSTEGV-ZSCHJXSPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-F2-O3.C6-H14-N2-O2

Molecular Weight

  • 450.4792
 
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Names and Synonyms

Synonyms

  • (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, L-lysine salt (1:1)
  • (S)-(+)-Lysine salt of 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid

Systematic Name

  • L-Lysine, mono((+-)-2',4'-difluoro-alpha-methyl-gamma-oxo(1,1-biphenyl)-4-butanoate)

Registry Numbers

CAS Registry Number

  • 161692-95-1

System Generated Number

  • 0161692951

Molecular Formulas

Molecular Formula

  • C17-H14-F2-O3.C6-H14-N2-O2

Molecular Formula Fragments

  • C17-H14-F2-O3
  • C6-H14-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H14F2O3.C6H14N2O2/c1-10(17(21)22)8-16(20)12-4-2-11(3-5-12)14-7-6-13(18)9-15(14)19;7-4-2-1-3-5(8)6(9)10/h2-7,9-10H,8H2,1H3,(H,21,22);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1

InChIKey

UQANTCBTGSTEGV-ZSCHJXSPSA-N

Smiles

CC(CC(=O)c1ccc(cc1)c2ccc(cc2F)F)C(=O)O.C(CCN)C[C@@H](C(=O)O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 500mg/kg (500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 59, Pg. 2705, 1994.