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Substance Name: Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-
RN: 76557-35-2
InChIKey: IVKSXMJDKDLQHC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H24-N2-O5-S2

Molecular Weight

  • 496.6056
 
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Names and Synonyms

  • Benzoic acid, 3-((2-ethyl-5-methyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-

Registry Numbers

CAS Registry Number

  • 76557-35-2

System Generated Number

  • 0076557352

Structure Descriptors

InChI

1S/C25H24N2O5S2/c1-3-20-10-9-17(2)27(20)34(30,31)23-14-19(25(28)29)13-22(26-15-18-11-12-33-16-18)24(23)32-21-7-5-4-6-8-21/h4-14,16,26H,3,15H2,1-2H3,(H,28,29)

InChIKey

IVKSXMJDKDLQHC-UHFFFAOYSA-N

Smiles

CCc1ccc(C)n1S(=O)(=O)c2cc(cc(NCc3ccsc3)c2Oc4ccccc4)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2150mg/kg (2150mg/kg)   European Patent Application. Vol. #0008367,