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Substance Name: Benzoic acid, 3,5-dimethyl-4-propoxy-, ethyl ester
RN: 100311-41-9
InChIKey: WYSMCOXLYZULTP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-O3

Molecular Weight

  • 236.309
 
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Names and Synonyms

Synonyms

  • 3,5-Dimethyl-4-propoxybenzoic acid ethyl ester
  • BRN 2653232
  • Ethyl 3,5-dimethyl-4-propoxybenzoate

Systematic Name

  • Benzoic acid, 3,5-dimethyl-4-propoxy-, ethyl ester

Registry Numbers

CAS Registry Number

  • 100311-41-9

System Generated Number

  • 0100311419

Structure Descriptors

InChI

1S/C14H20O3/c1-5-7-17-13-10(3)8-12(9-11(13)4)14(15)16-6-2/h8-9H,5-7H2,1-4H3

InChIKey

WYSMCOXLYZULTP-UHFFFAOYSA-N

Smiles

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

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.