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Substance Name: Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester
RN: 100347-77-1
InChIKey: ONSRRKMXWGNSJK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-O4

Molecular Weight

  • 306.399
 
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Names and Synonyms

Synonyms

  • 4-Allyloxy-3,5-dipropylbenzoic acid 2-hydroxyethyl ester
  • beta-Hydroxyethyl 4-allyloxy-3,5-dipropylbenzoate
  • BRN 2597501

Systematic Name

  • Benzoic acid, 4-(allyloxy)-3,5-dipropyl-, 2-hydroxyethyl ester

Registry Numbers

CAS Registry Number

  • 100347-77-1

System Generated Number

  • 0100347771

Structure Descriptors

InChI

1S/C18H26O4/c1-4-7-14-12-16(18(20)22-11-9-19)13-15(8-5-2)17(14)21-10-6-3/h6,12-13,19H,3-5,7-11H2,1-2H3

InChIKey

ONSRRKMXWGNSJK-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCCO)=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.