Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Benzofurancarboxylic acid, 6-bromo-5-(hydroperoxyacetyl)-2-((phenylthio)methyl)-, ethyl ester
RN: 82039-79-0
InChIKey: GPQFBSLVPVWBIN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H17-Br-O6-S

Molecular Weight

  • 465.3183
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-Benzofurancarboxylic acid, 6-bromo-5-(carboxymethoxy)-2-((phenylthio)methyl)-, 3-ethyl ester
  • 5-(2-Phenylthiomethyl-3-carbethoxy-6-bromobenzofuryl)oxyacetic acid
  • 6-Bromo-5-(hydroperoxyacetyl)-2-((phenylthio)methyl)-3-benzofurancarboxylic acid ethyl ester

Systematic Name

  • 3-Benzofurancarboxylic acid, 6-bromo-5-(hydroperoxyacetyl)-2-((phenylthio)methyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 82039-79-0

System Generated Number

  • 0082039790

Structure Descriptors

InChI

1S/C20H17BrO6S/c1-2-25-20(24)19-13-8-16(26-10-18(22)23)14(21)9-15(13)27-17(19)11-28-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,22,23)

InChIKey

GPQFBSLVPVWBIN-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c2cc(c(cc2oc1CSc3ccccc3)Br)OCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 600mg/kg (600mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 191, 1982.