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Substance Name: 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-
RN: 70882-54-1
InChIKey: HCNCTBCYWQBLGC-BQYQJAHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-N-O2

Molecular Weight

  • 225.2459
 
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Names and Synonyms

Synonyms

  • (E)-3-(1H-Indol-3-yl)-2-propenoic acid 2-propynyl ester
  • 5-22-03-00250 (Beilstein Handbook Reference)
  • BRN 0398737
  • Propargyl trans-beta-(3-indolyl)acrylate

Systematic Name

  • 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-propynyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 70882-54-1

System Generated Number

  • 0070882541

Structure Descriptors

InChI

1S/C14H11NO2/c1-2-9-17-14(16)8-7-11-10-15-13-6-4-3-5-12(11)13/h1,3-8,10,15H,9H2/b8-7+

InChIKey

HCNCTBCYWQBLGC-BQYQJAHWSA-N

Smiles

C#CCOC(=O)/C=C/c1c[nH]c2c1cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 616mg/kg (616mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 507, 1979.