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Substance Name: 1,5-Hexanedione, 2-acetyl-1-(2-phenyl-1H-indol-3-yl)-
RN: 62367-91-3
InChIKey: HAOKFTHJLHBUBN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N-O3

Molecular Weight

  • 347.4119
 
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Names and Synonyms

Synonyms

  • (Phenyl-1' indolyl-3')-1 diacetyl-2,4 oxo-1 butane
  • (Phenyl-1' indolyl-3')-1 diacetyl-2,4 oxo-1 butane [French]
  • 2-Acetyl-1-(2-phenyl-1H-indol-3-yl)-1,5-hexanedione
  • BRN 1500059

Systematic Name

  • 1,5-Hexanedione, 2-acetyl-1-(2-phenyl-1H-indol-3-yl)-

Registry Numbers

CAS Registry Number

  • 62367-91-3

System Generated Number

  • 0062367913

Structure Descriptors

InChI

1S/C22H21NO3/c1-14(24)12-13-17(15(2)25)22(26)20-18-10-6-7-11-19(18)23-21(20)16-8-4-3-5-9-16/h3-11,17,23H,12-13H2,1-2H3

InChIKey

HAOKFTHJLHBUBN-UHFFFAOYSA-N

Smiles

CC(=O)CCC(C(=O)C)C(=O)c1c2ccccc2[nH]c1c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 471, 1976.