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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester
RN: 97209-93-3
InChIKey: NJAAEHLJHJCXQM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-O10

Molecular Weight

  • 450.437
 
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Names and Synonyms

Synonyms

  • 3,4,5-Trimethoxybenzoic acid 1,2-ethanediyl ester
  • BRN 5662594
  • Di-O-(3,4,5-trimethoxybenzoyl)ethylene glycol

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediyl ester

Registry Numbers

CAS Registry Number

  • 97209-93-3

System Generated Number

  • 0097209933

Structure Descriptors

InChI

1S/C22H26O10/c1-25-15-9-13(10-16(26-2)19(15)29-5)21(23)31-7-8-32-22(24)14-11-17(27-3)20(30-6)18(12-14)28-4/h9-12H,7-8H2,1-6H3

InChIKey

NJAAEHLJHJCXQM-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCCOC(c2cc(c(OC)c(c2)OC)OC)=O)=O)cc1OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 182, 1985.