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Substance Name: Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester
RN: 101756-25-6
InChIKey: DXFANIGIQOZRMR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O4

Molecular Weight

  • 236.265
 
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Names and Synonyms

Synonyms

  • AF 450
  • alpha-Ethyl-p-methylbenzyl ester of malonic acid

Systematic Name

  • Malonic acid, mono(alpha-ethyl-p-methylbenzyl) ester

Registry Numbers

CAS Registry Number

  • 101756-25-6

System Generated Number

  • 0101756256

Structure Descriptors

InChI

1S/C13H16O4/c1-3-11(17-13(16)8-12(14)15)10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3,(H,14,15)

InChIKey

DXFANIGIQOZRMR-UHFFFAOYSA-N

Smiles

c1([C@@H](OC(CC(O)=O)=O)CC)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 529mg/kg (529mg/kg)   Bollettino Chimico Farmaceutico. Vol. 100, Pg. 855, 1961.