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Substance Name: 5-Hexenoic acid, 6-(2,3-dihydro-2-(((4-methylphenyl)sulfonyl)amino)-1H-inden-5-yl)-6-(3-pyridinyl)-
RN: 133276-58-1
InChIKey: CVGMGVCODMCCTA-GOTRBWPWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H28-N2-O4-S

Molecular Weight

  • 476.5942
 
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Names and Synonyms

Synonym

  • 6-(2-(4-Toluenesulphonylamino)indan-5-yl)-6-(3-pyridyl)-hex-5-enoic acid

Systematic Name

  • 5-Hexenoic acid, 6-(2,3-dihydro-2-(((4-methylphenyl)sulfonyl)amino)-1H-inden-5-yl)-6-(3-pyridinyl)-

Registry Numbers

CAS Registry Number

  • 133276-58-1

System Generated Number

  • 0133276581

Structure Descriptors

InChI

1S/C27H28N2O4S/c1-19-8-12-25(13-9-19)34(32,33)29-24-16-20-10-11-21(15-23(20)17-24)26(6-2-3-7-27(30)31)22-5-4-14-28-18-22/h4-6,8-15,18,24,29H,2-3,7,16-17H2,1H3,(H,30,31)/b26-6+

InChIKey

CVGMGVCODMCCTA-GOTRBWPWSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)NC2Cc3ccc(cc3C2)/C(=C\CCCC(=O)O)/c4cccnc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 250mg/kg (250mg/kg)   United States Patent Document. Vol. #5426119,