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Substance Name: Benzoic acid, 3,4-bis(acetyloxy)-
RN: 58534-64-8
InChIKey: FJVSTYFZOUSZCS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H10-O6

Molecular Weight

  • 238.194
 
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Names and Synonyms

Synonyms

  • 3,4-Bis(acetyloxy)benzoic acid
  • 3,4-Diacetoxybenzoic acid
  • 3-10-00-01408 (Beilstein Handbook Reference)
  • BRN 2698785
  • EINECS 261-312-2

Systematic Names

  • 3,4-Diacetoxybenzoic acid
  • Benzoic acid, 3,4-bis(acetyloxy)-
  • Protocatechuic acid, diacetate (6CI,7CI)

Registry Numbers

CAS Registry Number

  • 58534-64-8

System Generated Number

  • 0058534648

Structure Descriptors

InChI

1S/C11H10O6/c1-6(12)16-9-4-3-8(11(14)15)5-10(9)17-7(2)13/h3-5H,1-2H3,(H,14,15)

InChIKey

FJVSTYFZOUSZCS-UHFFFAOYSA-N

Smiles

c1(c(OC(=O)C)ccc(C(=O)O)c1)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.