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Substance Name: Acetamide, 2-((5-(2-(2-((4-chlorophenyl)amino)ethyl)-4,5-dihydro-4-((4-hydroxy-3-methoxyphenyl)methylene)-5-oxo-1H-imidazol-1-yl)-1,3,4-thiadiazol-2-yl)thio)-N-phenyl-
RN: 127444-17-1
InChIKey: XXNRCAQMSJGEHE-PXLXIMEGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H25-Cl-N6-O4-S2

Molecular Weight

  • 621.1395
 
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Names and Synonyms

Synonym

  • BRN 4630948

Systematic Name

  • Acetamide, 2-((5-(2-(2-((4-chlorophenyl)amino)ethyl)-4,5-dihydro-4-((4-hydroxy-3-methoxyphenyl)methylene)-5-oxo-1H-imidazol-1-yl)-1,3,4-thiadiazol-2-yl)thio)-N-phenyl-

Registry Numbers

CAS Registry Number

  • 127444-17-1

System Generated Number

  • 0127444171

Structure Descriptors

InChI

1S/C29H25ClN6O4S2/c1-40-24-16-18(7-12-23(24)37)15-22-27(39)36(25(33-22)13-14-31-20-10-8-19(30)9-11-20)28-34-35-29(42-28)41-17-26(38)32-21-5-3-2-4-6-21/h2-12,15-16,31,37H,13-14,17H2,1H3,(H,32,38)/b22-15+

InChIKey

XXNRCAQMSJGEHE-PXLXIMEGSA-N

Smiles

COc1cc(ccc1O)/C=C/2\C(=O)N(C(=N2)CCNc3ccc(cc3)Cl)c4nnc(s4)SCC(=O)Nc5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Experimental Biology. Vol. 28, Pg. 1145, 1990.