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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 1,4-butanediyl ester
RN: 97209-94-4
InChIKey: RAUJLZYZMCGPMP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-O10

Molecular Weight

  • 478.491
 
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Names and Synonyms

Synonyms

  • 3,4,5-Trimethoxybenzoic acid 1,4-butanediyl ester
  • BRN 2713939
  • Di-O-(3,4,5-trimethoxybenzoyl)butane-1,4-diol

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 1,4-butanediyl ester

Registry Numbers

CAS Registry Number

  • 97209-94-4

System Generated Number

  • 0097209944

Structure Descriptors

InChI

1S/C24H30O10/c1-27-17-11-15(12-18(28-2)21(17)31-5)23(25)33-9-7-8-10-34-24(26)16-13-19(29-3)22(32-6)20(14-16)30-4/h11-14H,7-10H2,1-6H3

InChIKey

RAUJLZYZMCGPMP-UHFFFAOYSA-N

Smiles

c1(cc(c(OC)c(c1)OC)OC)C(OCCCCOC(c1cc(c(OC)c(c1)OC)OC)=O)=O

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.