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Substance Name: Aconitic acid, triallyl ester
RN: 13675-27-9
InChIKey: NZHHDFRSEQSGLN-BENRWUELSA-N

Molecular Formula

  • C15-H18-O6

Molecular Weight

  • 294.301
 
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Names and Synonyms

Synonyms

  • 4-02-00-02407 (Beilstein Handbook Reference)
  • Aconitic acid, triallyl ester
  • BRN 1714743
  • NSC 19172
  • Triallyl aconitate

Systematic Names

  • 1-Propene-1,2,3-tricarboxylic acid, triallyl ester (8CI)
  • Aconitic acid, triallyl ester

Registry Numbers

CAS Registry Number

  • 13675-27-9

System Generated Number

  • 0013675279

Structure Descriptors

InChI

1S/C15H18O6/c1-4-7-19-13(16)10-12(15(18)21-9-6-3)11-14(17)20-8-5-2/h4-6,10H,1-3,7-9,11H2/b12-10-

InChIKey

NZHHDFRSEQSGLN-BENRWUELSA-N

Smiles

C(\CC(OCC=C)=O)(=C\C(OCC=C)=O)C(OCC=C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 125mg/kg (125mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 214, 1954.