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Substance Name: Benzoic acid, 4-(benzyloxy)-3,5-dipropyl-
RN: 100311-43-1
InChIKey: DWVYXNYUKKZNIU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-O3

Molecular Weight

  • 312.407
 
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Names and Synonyms

Synonyms

  • 4-Benzyloxy-3,5-dipropylbenzoic acid
  • BRN 2597974

Systematic Name

  • Benzoic acid, 4-(benzyloxy)-3,5-dipropyl-

Registry Numbers

CAS Registry Number

  • 100311-43-1

System Generated Number

  • 0100311431

Structure Descriptors

InChI

1S/C20H24O3/c1-3-8-16-12-18(20(21)22)13-17(9-4-2)19(16)23-14-15-10-6-5-7-11-15/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,21,22)

InChIKey

DWVYXNYUKKZNIU-UHFFFAOYSA-N

Smiles

c1(c(cc(C(O)=O)cc1CCC)CCC)OCc1ccccc1

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.