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Substance Name: (1,1'-Biphenyl)-4-acetic acid, 2-fluoro-alpha-methyl-, (acetyloxy)methyl ester
RN: 91503-72-9
InChIKey: DOEZNJRGIBOCSQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-F-O4

Molecular Weight

  • 316.3263
 
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Names and Synonyms

Synonyms

  • (Acetyloxy)methyl 2-fluoro-alpha-methyl-(1,1'-biphenyl)-4-acetate
  • Acetoxymethyl 2-(2-fluoro-4-biphenylyl)propionate

Systematic Name

  • (1,1'-Biphenyl)-4-acetic acid, 2-fluoro-alpha-methyl-, (acetyloxy)methyl ester

Registry Numbers

CAS Registry Number

  • 91503-72-9

System Generated Number

  • 0091503729

Structure Descriptors

InChI

1S/C18H17FO4/c1-12(18(21)23-11-22-13(2)20)15-8-9-16(17(19)10-15)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3

InChIKey

DOEZNJRGIBOCSQ-UHFFFAOYSA-N

Smiles

CC(c1ccc(c(c1)F)c2ccccc2)C(=O)OCOC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1036mg/kg (1036mg/kg)   United States Patent Document. Vol. #4613505,
mouse LD50 oral 647mg/kg (647mg/kg)   United States Patent Document. Vol. #4613505,