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Substance Name: Benzoic acid, 3-allyl-4-hydroxy-5-propyl-, ethyl ester
RN: 100347-68-0
InChIKey: HGBSODFOTQNLSP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H20-O3

Molecular Weight

  • 248.32
 
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Names and Synonyms

Synonyms

  • 3-Allyl-4-hydroxy-5-propylbenzoic acid ethyl ester
  • BRN 2652479
  • Ethyl 3-allyl-4-hydroxy-5-propylbenzoate

Systematic Name

  • Benzoic acid, 3-allyl-4-hydroxy-5-propyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 100347-68-0

System Generated Number

  • 0100347680

Structure Descriptors

InChI

1S/C15H20O3/c1-4-7-11-9-13(15(17)18-6-3)10-12(8-5-2)14(11)16/h4,9-10,16H,1,5-8H2,2-3H3

InChIKey

HGBSODFOTQNLSP-UHFFFAOYSA-N

Smiles

c1(cc(c(O)c(c1)CC=C)CCC)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.