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Substance Name: 4(3H)-Quinazolinethione, 6-fluoro-2-methyl-3-(3-(trifluoromethyl)phenyl)-
RN: 49579-48-8
InChIKey: FOMXGUQFHSAATI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H10-F4-N2-S

Molecular Weight

  • 338.327
 
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Names and Synonyms

Synonyms

  • 5-24-03-00225 (Beilstein Handbook Reference)
  • 6-Fluoro-2-methyl-3-(3-(trifluoromethyl)phenyl)-4(3H)-quinazolinethione
  • BRN 0837245

Systematic Name

  • 4(3H)-Quinazolinethione, 6-fluoro-2-methyl-3-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 49579-48-8

System Generated Number

  • 0049579488

Structure Descriptors

InChI

1S/C16H10F4N2S/c1-9-21-14-6-5-11(17)8-13(14)15(23)22(9)12-4-2-3-10(7-12)16(18,19)20/h2-8H,1H3

InChIKey

FOMXGUQFHSAATI-UHFFFAOYSA-N

Smiles

n1c(n(c(c2cc(ccc12)F)=S)c1cc(ccc1)C(F)(F)F)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Chemistry. Vol. 11, Pg. 430, 1973.