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Substance Name: Benzoic acid, 4-(allyloxy)-3,5-dipropyl-
RN: 100347-73-7
InChIKey: UMPMTSRYGHCQAK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-O3

Molecular Weight

  • 262.347
 
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Names and Synonyms

Synonyms

  • 4-10-00-00758 (Beilstein Handbook Reference)
  • 4-Allyloxy-3,5-dipropylbenzoic acid
  • BRN 2590223

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100347-73-7

System Generated Number

  • 0100347737

Structure Descriptors

InChI

1S/C16H22O3/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/h6,10-11H,3-5,7-9H2,1-2H3,(H,17,18)

InChIKey

UMPMTSRYGHCQAK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 770mg/kg (770mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.