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Substance Name: Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-
RN: 109241-76-1
InChIKey: SOWIYMJTFZOWRV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-O4-S

Molecular Weight

  • 318.3912
 
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Names and Synonyms

Synonyms

  • alpha-Butyl-2-hydroxy-5-(2-thienylcarbonyl)benzeneacetic acid
  • BRN 6738606

Systematic Name

  • Benzeneacetic acid, alpha-butyl-2-hydroxy-5-(2-thienylcarbonyl)-

Registry Numbers

CAS Registry Number

  • 109241-76-1

System Generated Number

  • 0109241761

Structure Descriptors

InChI

1S/C17H18O4S/c1-2-3-5-12(17(20)21)13-10-11(7-8-14(13)18)16(19)15-6-4-9-22-15/h4,6-10,12,18H,2-3,5H2,1H3,(H,20,21)

InChIKey

SOWIYMJTFZOWRV-UHFFFAOYSA-N

Smiles

CCCCC(c1cc(ccc1O)C(=O)c2cccs2)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 1663, 1987.