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Substance Name: Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester
RN: 100311-34-0
InChIKey: JOUJVFQMMSBQQO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-O3

Molecular Weight

  • 246.304
 
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Names and Synonyms

Synonyms

  • 1-10-00-00143 (Beilstein Handbook Reference)
  • 3,5-Diallyl-4-hydroxybenzoic acid ethyl ester
  • BRN 2583296
  • RTECS DJ9030000

Systematic Name

  • Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester

Registry Numbers

CAS Registry Number

  • 100311-34-0

System Generated Number

  • 0100311340

Structure Descriptors

InChI

1S/C15H18O3/c1-4-7-11-9-13(15(17)18-6-3)10-12(8-5-2)14(11)16/h4-5,9-10,16H,1-2,6-8H2,3H3

InChIKey

JOUJVFQMMSBQQO-UHFFFAOYSA-N

Smiles

c1(cc(c(O)c(c1)CC=C)CC=C)C(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.