Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-(1-piperidinyl)ethyl ester, (E)-, ethanedioate (1:1)
RN: 70882-59-6
InChIKey: MYMSOHUHJNPMHI-HRNDJLQDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N2-O2.C2-H2-O4

Molecular Weight

  • 388.4176
 
* 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

Synonyms

  • (E)-3-(1H-Indol-3-yl)-2-propenoic acid 2-(1-piperidinyl)ethyl ester ethanedioate (1:1)
  • beta-Piperidinoethyl trans-beta-(3-indolyl)acrylate oxalate

Systematic Name

  • 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-(1-piperidinyl)ethyl ester, (E)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 70882-59-6

System Generated Number

  • 0070882596

Molecular Formulas

Molecular Formula

  • C18-H22-N2-O2.C2-H2-O4

Molecular Formula Fragments

  • C18-H22-N2-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22N2O2.C2H2O4/c21-18(22-13-12-20-10-4-1-5-11-20)9-8-15-14-19-17-7-3-2-6-16(15)17;3-1(4)2(5)6/h2-3,6-9,14,19H,1,4-5,10-13H2;(H,3,4)(H,5,6)/b9-8+;

InChIKey

MYMSOHUHJNPMHI-HRNDJLQDSA-N

Smiles

c1ccc2c(c1)c(c[nH]2)/C=C/C(=O)OCCN3CCCCC3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 238mg/kg (238mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 507, 1979.