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Substance Name: Benzoic acid, 3-((2,5-diethyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)-
RN: 76557-33-0
InChIKey: VTFGMWMCEMSBNQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H26-N2-O5-S2

Molecular Weight

  • 510.6324
 
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Names and Synonyms

Synonym

  • 3-((2,5-Diethyl-1H-pyrrol-1-yl)sulfonyl)-4-phenoxy-5-((3-thienylmethyl)amino)benzoic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76557-33-0

System Generated Number

  • 0076557330

Structure Descriptors

InChI

1S/C26H26N2O5S2/c1-3-20-10-11-21(4-2)28(20)35(31,32)24-15-19(26(29)30)14-23(27-16-18-12-13-34-17-18)25(24)33-22-8-6-5-7-9-22/h5-15,17,27H,3-4,16H2,1-2H3,(H,29,30)

InChIKey

VTFGMWMCEMSBNQ-UHFFFAOYSA-N

Smiles

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

Toxicity

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