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Substance Name: Benzoic acid, 3-((2,5-dimethyl-1H-pyrrol-1-yl)sulfonyl)-4-(phenylamino)-5-((3-thienylmethyl)amino)-
RN: 76557-39-6
InChIKey: UTTFVMPLWDWRJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H23-N3-O4-S2

Molecular Weight

  • 481.5947
 
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Names and Synonyms

  • Benzoic acid, 3-((2,5-dimethyl-1H-pyrrol-1-yl)sulfonyl)-4-(phenylamino)-5-((3-thienylmethyl)amino)-

Registry Numbers

CAS Registry Number

  • 76557-39-6

System Generated Number

  • 0076557396

Structure Descriptors

InChI

1S/C24H23N3O4S2/c1-16-8-9-17(2)27(16)33(30,31)22-13-19(24(28)29)12-21(25-14-18-10-11-32-15-18)23(22)26-20-6-4-3-5-7-20/h3-13,15,25-26H,14H2,1-2H3,(H,28,29)

InChIKey

UTTFVMPLWDWRJD-UHFFFAOYSA-N

Smiles

Cc1ccc(n1S(=O)(=O)c2cc(cc(c2Nc3ccccc3)NCc4ccsc4)C(=O)O)C

Toxicity

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