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Substance Name: BRN 5681738
RN: 97399-32-1
InChIKey: NUIRNGZGFQEQAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H21-Br2-N5-O4-S

Molecular Weight

  • 647.3459
 
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Names and Synonyms

Results Name

  • BRN 5681738

Synonym

  • BRN 5681738

Systematic Name

  • Acetamide, 2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(((4-ethoxyphenyl)amino)carbonyl)-

Registry Numbers

CAS Registry Number

  • 97399-32-1

System Generated Number

  • 0097399321

Structure Descriptors

InChI

1S/C25H21Br2N5O4S/c1-2-36-18-10-8-16(9-11-18)28-24(35)29-21(33)14-37-25-31-30-23(32(25)17-6-4-3-5-7-17)19-12-15(26)13-20(27)22(19)34/h3-13,34H,2,14H2,1H3,(H2,28,29,33,35)

InChIKey

NUIRNGZGFQEQAN-UHFFFAOYSA-N

Smiles

c1(n(c(nn1)SCC(=O)NC(=O)Nc1ccc(cc1)OCC)c1ccccc1)c1c(c(cc(c1)Br)Br)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 190, 1985.