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Substance Name: 1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-
RN: 10354-27-5
InChIKey: HIHLSOAEMNBULL-HWKANZROSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-O3

Molecular Weight

  • 204.224
 
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Names and Synonyms

Synonyms

  • 1-(1,3-Benzodioxol-5-yl)-1-penten-3-one
  • 5-19-04-00338 (Beilstein Handbook Reference)
  • BRN 0184683

Systematic Name

  • 1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-

Registry Numbers

CAS Registry Number

  • 10354-27-5

System Generated Number

  • 0010354275

Structure Descriptors

InChI

1S/C12H12O3/c1-2-10(13)5-3-9-4-6-11-12(7-9)15-8-14-11/h3-7H,2,8H2,1H3/b5-3+

InChIKey

HIHLSOAEMNBULL-HWKANZROSA-N

Smiles

O1c2ccc(\C=C\C(CC)=O)cc2OC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.