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Substance Name: Enanthotoxin
RN: 20311-78-8
UNII: 4GD5A2RG2N
InChIKey: UPXPHJXYZGEBCW-SRFVWEJJSA-N

Note

  • Poisonous principle of Oenanthe crocata (Water Dropwort).

Molecular Formula

  • C17-H22-O2

Molecular Weight

  • 258.3588
 
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Names and Synonyms

Name of Substance

  • Enanthotoxin

Synonyms

  • 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol
  • Oenanthotoxin
  • UNII-4GD5A2RG2N

Systematic Name

  • Enanthotoxin

Registry Numbers

CAS Registry Number

  • 20311-78-8

FDA UNII

  • 4GD5A2RG2N

System Generated Number

  • 0020311788

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-/m1/s1

InChIKey

UPXPHJXYZGEBCW-SRFVWEJJSA-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 2940ug/kg (2.94mg/kg)   Archivos de Farmacologia y Toxicologia. Vol. 7, Pg. 197, 1981.
rat LD50 intraperitoneal 2940ug/kg (2.94mg/kg)   Archivos de Farmacologia y Toxicologia. Vol. 7, Pg. 197, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 87 deg C   EXP
log P (octanol-water) 4.550 (none)   EST
Atmospheric OH Rate Constant 3.37E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.