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Substance Name: Acetamide, N-(4-((((5-(1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl)methyl)amino)sulfonyl)phenyl)-
RN: 172701-72-3
InChIKey: POOXMVWEDCYGIC-QOSDPKFLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H22-Cl-N9-O7-S

Molecular Weight

  • 652.0458
 
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Names and Synonyms

  • Acetamide, N-(4-((((5-(1-(3-chlorophenyl)-4-methoxy-5-((4-nitrophenyl)azo)-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl)methyl)amino)sulfonyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 172701-72-3

System Generated Number

  • 0172701723

Structure Descriptors

InChI

1S/C27H22ClN9O7S/c1-16(38)30-18-8-12-22(13-9-18)45(41,42)29-15-23-32-34-27(44-23)24-25(43-2)26(36(35-24)21-5-3-4-17(28)14-21)33-31-19-6-10-20(11-7-19)37(39)40/h3-14,29H,15H2,1-2H3,(H,30,38)/b33-31+

InChIKey

POOXMVWEDCYGIC-QOSDPKFLSA-N

Smiles

CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc2nnc(o2)c3c(c(n(n3)c4cccc(c4)Cl)/N=N/c5ccc(cc5)[N+](=O)[O-])OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 175mg/kg (175mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 45, Pg. 1074, 1995.