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Substance Name: Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)-
RN: 88768-49-4
InChIKey: HNDJKKMMGOVARH-UHFFFAOYSA-N

Molecular Formula

  • C18-H14-N2-O2-S

Molecular Weight

  • 322.3866
 
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Names and Synonyms

Synonyms

  • ((4,6-Diphenyl-2-pyrimidinyl)thio)acetic acid
  • 2-Pyrimidinethioacetic acid, 4,6-diphenyl-
  • BRN 4511823

Systematic Name

  • Acetic acid, ((4,6-diphenyl-2-pyrimidinyl)thio)-

Registry Numbers

CAS Registry Number

  • 88768-49-4

System Generated Number

  • 0088768494

Structure Descriptors

InChI

1S/C18H14N2O2S/c21-17(22)12-23-18-19-15(13-7-3-1-4-8-13)11-16(20-18)14-9-5-2-6-10-14/h1-11H,12H2,(H,21,22)

InChIKey

HNDJKKMMGOVARH-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2cc(nc(n2)SCC(=O)O)c3ccccc3

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.