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Substance Name: Benzoic acid, 2-(acetyloxy)-, 3-(1,3-benzodioxol-5-yl)-1-(1,1-dimethylethyl)-2-propenyl ester
RN: 58344-22-2
InChIKey: XAHVMDJAXLVHLL-ZRDIBKRKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-O6

Molecular Weight

  • 396.4366
 
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Names and Synonyms

Synonyms

  • 3-(1,3-Benzodioxol-5-yl)-1-(1,1-dimethylethyl)-2-propenyl 2-(acetyloxy)benzoate
  • D 439

Systematic Name

  • Benzoic acid, 2-(acetyloxy)-, 3-(1,3-benzodioxol-5-yl)-1-(1,1-dimethylethyl)-2-propenyl ester

Registry Numbers

CAS Registry Number

  • 58344-22-2

System Generated Number

  • 0058344222

Structure Descriptors

InChI

1S/C23H24O6/c1-15(24)28-18-8-6-5-7-17(18)22(25)29-21(23(2,3)4)12-10-16-9-11-19-20(13-16)27-14-26-19/h5-13,21H,14H2,1-4H3/b12-10+

InChIKey

XAHVMDJAXLVHLL-ZRDIBKRKSA-N

Smiles

CC(=O)Oc1ccccc1C(=O)OC(/C=C/c2ccc3c(c2)OCO3)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   French Demande Patent Document. Vol. #2253504,