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Substance Name: 1,3-Indandione, 2-(1-(1-methylethyl)-4(1H)-pyridinylidene)-
RN: 49803-32-9
InChIKey: BARWNEXAEKNALP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H15-N-O2

Molecular Weight

  • 265.31
 
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Names and Synonyms

Synonyms

  • 2-(1-(1-Methylethyl)-4(1H)-pyridinylidene)-1,3-indandione
  • 2-(1-(1-Methylethyl)-4(1H)-pyridinylidene)-1H-indene-1,3(2H)-dione
  • 5-21-11-00390 (Beilstein Handbook Reference)
  • BRN 1535221

Systematic Name

  • 1,3-Indandione, 2-(1-(1-methylethyl)-4(1H)-pyridinylidene)-

Registry Numbers

CAS Registry Number

  • 49803-32-9

System Generated Number

  • 0049803329

Structure Descriptors

InChI

1S/C17H15NO2/c1-11(2)18-9-7-12(8-10-18)15-16(19)13-5-3-4-6-14(13)17(15)20/h3-11H,1-2H3

InChIKey

BARWNEXAEKNALP-UHFFFAOYSA-N

Smiles

C1(\C(C(c2ccccc12)=O)=C1\C=CN(C=C1)C(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1450mg/kg (1450mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 519, 1974.