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Substance Name: Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-
RN: 107072-32-2
InChIKey: AQEVAFZLDGPQFC-UHFFFAOYSA-N

Molecular Formula

  • C14-H11-F3-N2-O2-S

Molecular Weight

  • 390.3837
 
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Names and Synonyms

Synonyms

  • 2-Pyrimidinethioacetic acid, beta,4-diphenyl-6-(trifluoromethyl)-
  • alpha-((4-Phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)benzeneacetic acid

Systematic Name

  • Benzeneacetic acid, alpha-((4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl)thio)-

Registry Numbers

CAS Registry Number

  • 107072-32-2

System Generated Number

  • 0107072322

Structure Descriptors

InChI

1S/C19H13F3N2O2S/c20-19(21,22)15-11-14(12-7-3-1-4-8-12)23-18(24-15)27-16(17(25)26)13-9-5-2-6-10-13/h1-11,16H,(H,25,26)

InChIKey

AQEVAFZLDGPQFC-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2cc(nc(n2)SC(c3ccccc3)C(=O)O)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular > 500mg/kg (500mg/kg)   Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 18, Pg. 75, 1986.