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Substance Name: 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-
RN: 54752-43-1
InChIKey: WHQQKWXTMFMTAO-NTUHNPAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H12-O3

Molecular Weight

  • 264.2788
 
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Names and Synonyms

Synonym

  • 2,3-Dihydro-2-(1,3-benzodioxol-5-ylmethylene)-1H-inden-1-one

Systematic Name

  • 1H-Inden-1-one, 2,3-dihydro-2-(1,3-benzodioxol-5-ylmethylene)-

Registry Numbers

CAS Registry Number

  • 54752-43-1

System Generated Number

  • 0054752431

Structure Descriptors

InChI

1S/C17H12O3/c18-17-13(9-12-3-1-2-4-14(12)17)7-11-5-6-15-16(8-11)20-10-19-15/h1-8H,9-10H2/b13-7+

InChIKey

WHQQKWXTMFMTAO-NTUHNPAUSA-N

Smiles

c1ccc2c(c1)C/C(=C\c3ccc4c(c3)OCO4)/C2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 2gm/kg (2000mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2833880,