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Substance Name: BRN 5678005
RN: 97399-33-2
InChIKey: JKIXJJSZGTUSPL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H16-Br2-Cl-N5-O3-S

Molecular Weight

  • 637.7384
 
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Names and Synonyms

Results Name

  • BRN 5678005

Synonym

  • BRN 5678005

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97399-33-2

System Generated Number

  • 0097399332

Structure Descriptors

InChI

1S/C23H16Br2ClN5O3S/c24-13-10-17(20(33)18(25)11-13)21-29-30-23(31(21)16-4-2-1-3-5-16)35-12-19(32)28-22(34)27-15-8-6-14(26)7-9-15/h1-11,33H,12H2,(H2,27,28,32,34)

InChIKey

JKIXJJSZGTUSPL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 190, 1985.