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Substance Name: beta-Isosafrole
RN: 4043-71-4
UNII: 94BY31ALL6
InChIKey: VHVOLFRBFDOUSH-NSCUHMNNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-O2

Molecular Weight

  • 162.187
 
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Names and Synonyms

Name of Substance

  • beta-Isosafrole

Synonyms

  • (E)-Isosafrole
  • 1,3-Benzodioxole, 5-(1-propenyl)-, (E)-
  • beta-Isosafrole
  • trans-1,2-(Methylenedioxy)-4-propenylbenzene
  • UNII-94BY31ALL6

Systematic Name

  • Benzene, 1,2-(methylenedioxy)-4-propenyl-, (E)-

Registry Numbers

CAS Registry Number

  • 4043-71-4

FDA UNII

  • 94BY31ALL6

System Generated Number

  • 0004043714

Structure Descriptors

InChI

1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+

InChIKey

VHVOLFRBFDOUSH-NSCUHMNNSA-N

Smiles

O1COc2c1ccc(c2)\C=C\C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1280mg/kg (1280mg/kg)   Annales Pharmaceutiques Francaises. Vol. 18, Pg. 601, 1960.