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Substance Name: Benzeneacetic acid, 2,5-dimethoxy-4-(pentylthio)-
RN: 129658-08-8
InChIKey: CAYSQLKLNHZRHV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-O4-S

Molecular Weight

  • 298.4008
 
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Names and Synonyms

Synonyms

  • 2,5-Dimethoxy-4-(pentylthio)benzeneacetic acid
  • 2-(2,5-Dimethoxy-4-(pentylthio)phenyl)acetic acid
  • BRN 3616353

Systematic Name

  • Benzeneacetic acid, 2,5-dimethoxy-4-(pentylthio)-

Registry Numbers

CAS Registry Number

  • 129658-08-8

System Generated Number

  • 0129658088

Structure Descriptors

InChI

1S/C15H22O4S/c1-4-5-6-7-20-14-10-12(18-2)11(9-15(16)17)8-13(14)19-3/h8,10H,4-7,9H2,1-3H3,(H,16,17)

InChIKey

CAYSQLKLNHZRHV-UHFFFAOYSA-N

Smiles

CCCCCSc1cc(c(cc1OC)CC(=O)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 782, 1990.