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Substance Name: Benzoic acid, 4-(allyloxy)-3,5-diisopropyl-
RN: 7192-38-3
InChIKey: OIOXCRHTASIASQ-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-Allyloxy-3,5-diisopropylbenzoic acid
  • BRN 2620880

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 7192-38-3

System Generated Number

  • 0007192383

Structure Descriptors

InChI

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

InChIKey

OIOXCRHTASIASQ-UHFFFAOYSA-N

Smiles

c1(c(cc(C(O)=O)cc1C(C)C)C(C)C)OCC=C

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. 201, 1960.