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Substance Name: 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester
RN: 61888-73-1
InChIKey: OXRBXLIOKMPFCU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-Cl-O5-S

Molecular Weight

  • 354.809
 
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Names and Synonyms

Synonyms

  • 4'-Chloro-5-methylsulfonyloxy-3-biphenylacetic acid methyl ester
  • BRN 2170256

Systematic Name

  • 3-Biphenylacetic acid, 4'-chloro-5-methylsulfonyloxy-, methyl ester

Registry Numbers

CAS Registry Number

  • 61888-73-1

System Generated Number

  • 0061888731

Structure Descriptors

InChI

1S/C16H15ClO5S/c1-21-16(18)9-11-7-13(12-3-5-14(17)6-4-12)10-15(8-11)22-23(2,19)20/h3-8,10H,9H2,1-2H3

InChIKey

OXRBXLIOKMPFCU-UHFFFAOYSA-N

Smiles

c1(c2ccc(Cl)cc2)cc(cc(c1)CC(OC)=O)OS(C)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1131mg/kg (1131mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 709, 1977.