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Substance Name: Heptanoic acid, 3-(1,3-benzodioxol-5-yl)-1-(1,1-dimethylethyl)-2-propenyl ester
RN: 58344-20-0
InChIKey: OTQWBSSYNOHBQV-ACCUITESSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-O4

Molecular Weight

  • 346.464
 
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Names and Synonyms

Synonyms

  • D 725
  • Heptanoate de ((methylenedioxy-3,4 phenyl)-1 dimethyl-4,4 pentene-1) yle-3
  • Heptanoate de ((methylenedioxy-3,4 phenyl)-1 dimethyl-4,4 pentene-1) yle-3 [French]

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58344-20-0

System Generated Number

  • 0058344200

Structure Descriptors

InChI

1S/C21H30O4/c1-5-6-7-8-9-20(22)25-19(21(2,3)4)13-11-16-10-12-17-18(14-16)24-15-23-17/h10-14,19H,5-9,15H2,1-4H3/b13-11+

InChIKey

OTQWBSSYNOHBQV-ACCUITESSA-N

Smiles

CCCCCCC(=O)OC(/C=C/c1ccc2c(c1)OCO2)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   French Demande Patent Document. Vol. #2253504,