Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bupleurotoxin
RN: 111128-27-9
UNII: 47M62W36U4
InChIKey: UPXPHJXYZGEBCW-PFTJZPSUSA-N

Note

  • Isolated from Bupleurum longiradiatum Turez. (Umbellifarae).

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C17-H22-O2

Molecular Weight

  • 258.3588
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Bupleurotoxin

Synonyms

  • 14-Hydroxy-bupleurynol
  • Bupleurotoxin
  • UNII-47M62W36U4

Systematic Name

  • 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol, (Z,E,E)-

Registry Numbers

CAS Registry Number

  • 111128-27-9

FDA UNII

  • 47M62W36U4

System Generated Number

  • 0111128279

Structure Descriptors

InChI

1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11-/t17-/m0/s1

InChIKey

UPXPHJXYZGEBCW-PFTJZPSUSA-N

Smiles

CCC[C@H](O)CC\C=C\C=C\C#CC#C\C=C/CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3030ug/kg (3.03mg/kg)   Yaoxue Xuebao. Acta Pharmaceutica Sinica. Pharmaceutical Journal. Vol. 22, Pg. 507, 1987.