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Substance Name: Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, methyl ester
RN: 100347-78-2
InChIKey: YAFZWNCGWWHTGS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-O3

Molecular Weight

  • 276.374
 
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Names and Synonyms

Synonyms

  • 4-Allyloxy-3,5-dipropylbenzoic acid methyl ester
  • BRN 2593013
  • Methyl 4-allyloxy-3,5-dipropylbenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100347-78-2

System Generated Number

  • 0100347782

Structure Descriptors

InChI

1S/C17H24O3/c1-5-8-13-11-15(17(18)19-4)12-14(9-6-2)16(13)20-10-7-3/h7,11-12H,3,5-6,8-10H2,1-2,4H3

InChIKey

YAFZWNCGWWHTGS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 230mg/kg (230mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.