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Substance Name: Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester
RN: 100347-76-0
InChIKey: LKPLXBXEZDFKKY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-O3

Molecular Weight

  • 290.4
 
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Names and Synonyms

Synonyms

  • 4-10-00-00758 (Beilstein Handbook Reference)
  • 4-Allyloxy-3,5-dipropylbenzoic acid ethyl ester
  • BRN 2594809

Systematic Name

  • Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 100347-76-0

System Generated Number

  • 0100347760

Structure Descriptors

InChI

1S/C18H26O3/c1-5-9-14-12-16(18(19)20-8-4)13-15(10-6-2)17(14)21-11-7-3/h7,12-13H,3,5-6,8-11H2,1-2,4H3

InChIKey

LKPLXBXEZDFKKY-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCC)=O)cc1CCC)CCC)OCC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 650mg/kg (650mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.