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Substance Name: 2,4-Hexadiyn-1-one, 6-phenoxy-1-phenyl-
RN: 42107-66-4
InChIKey: HZPGAYVIOZOADS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H12-O2

Molecular Weight

  • 260.2908
 
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Names and Synonyms

Synonyms

  • 6-Phenoxy-1-phenyl-2,4-hexadiyn-1-one
  • BRN 1978714

Systematic Name

  • 2,4-Hexadiyn-1-one, 6-phenoxy-1-phenyl-

Registry Numbers

CAS Registry Number

  • 42107-66-4

System Generated Number

  • 0042107664

Structure Descriptors

InChI

1S/C18H12O2/c19-18(16-10-4-1-5-11-16)14-8-3-9-15-20-17-12-6-2-7-13-17/h1-2,4-7,10-13H,15H2

InChIKey

HZPGAYVIOZOADS-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)C#CC#CCOc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 103, 1981.