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Substance Name: 2-Benzofurancarboxylic acid, 4,4'-(2-hydroxytrimethylenedioxy)bis(3-methyl-, diethyl ester
RN: 112489-23-3
InChIKey: LIDIUKCDSDFAGP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H28-O9

Molecular Weight

  • 496.5092
 
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Names and Synonyms

Synonyms

  • 1,3-Bis(2-carbethoxy-3-methylbenzofuranyl-4-oxy)-2-propanol
  • 4,4'-(2-Hydroxytrimethylenedioxy)bis(3-methyl-2-benzofurancarboxylic acid) diethyl ester
  • BRN 5680264

Systematic Name

  • 2-Benzofurancarboxylic acid, 4,4'-(2-hydroxytrimethylenedioxy)bis(3-methyl-, diethyl ester

Registry Numbers

CAS Registry Number

  • 112489-23-3

System Generated Number

  • 0112489233

Structure Descriptors

InChI

1S/C27H28O9/c1-5-31-26(29)24-15(3)22-18(9-7-11-20(22)35-24)33-13-17(28)14-34-19-10-8-12-21-23(19)16(4)25(36-21)27(30)32-6-2/h7-12,17,28H,5-6,13-14H2,1-4H3

InChIKey

LIDIUKCDSDFAGP-UHFFFAOYSA-N

Smiles

CCOC(=O)c1c(c2c(o1)cccc2OCC(COc3cccc4c3c(c(o4)C(=O)OCC)C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 825mg/kg (825mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 22, Pg. 153, 1987.