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Substance Name: BRN 5680229
RN: 97399-35-4
InChIKey: NGSHPSIPAHQOES-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H21-Br2-N5-O3-S

Molecular Weight

  • 631.3469
 
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Names and Synonyms

Results Name

  • BRN 5680229

Synonym

  • BRN 5680229

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 97399-35-4

System Generated Number

  • 0097399354

Structure Descriptors

InChI

1S/C25H21Br2N5O3S/c1-14-7-9-17(10-8-14)32-23(18-11-16(26)12-19(27)22(18)34)30-31-25(32)36-13-21(33)29-24(35)28-20-6-4-3-5-15(20)2/h3-12,34H,13H2,1-2H3,(H2,28,29,33,35)

InChIKey

NGSHPSIPAHQOES-UHFFFAOYSA-N

Smiles

c1(n(c(nn1)SCC(=O)NC(=O)Nc1c(C)cccc1)c1ccc(cc1)C)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.