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Substance Name: 5,8-Tridecadiyn-7-one
RN: 18621-56-2
InChIKey: HIMXZONSEQRTFZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-O

Molecular Weight

  • 190.284
 
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Names and Synonyms

Synonym

  • BRN 1857058

Systematic Name

  • 5,8-Tridecadiyn-7-one

Registry Numbers

CAS Registry Number

  • 18621-56-2

System Generated Number

  • 0018621562

Structure Descriptors

InChI

1S/C13H18O/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-8H2,1-2H3

InChIKey

HIMXZONSEQRTFZ-UHFFFAOYSA-N

Smiles

C(#CCCCC)C(C#CCCCC)=O

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.