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Substance Name: o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-
RN: 93163-93-0
InChIKey: NCUCDFZBAOBFRB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-O3

Molecular Weight

  • 262.3468
 
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Names and Synonyms

Synonyms

  • 4-Allyloxy-3-ethyl-2-methyl-5-propylbenzoic acid
  • 4-Allyloxy-3-ethyl-5-propyl-o-toluic acid
  • BRN 2589782

Systematic Name

  • o-Toluic acid, 4-allyloxy-3-ethyl-5-propyl-

Registry Numbers

CAS Registry Number

  • 93163-93-0

System Generated Number

  • 0093163930

Structure Descriptors

InChI

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

InChIKey

NCUCDFZBAOBFRB-UHFFFAOYSA-N

Smiles

CCCc1cc(c(c(c1OCC=C)CC)C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 213, 1960.