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Substance Name: 2-Propenoic acid, 3-(1H-indol-3-yl)-, 2-(dimethylamino)ethyl ester, (E)-, ethanedioate (1:1)
RN: 70882-58-5
InChIKey: SJCVPEREYIIADK-USRGLUTNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N2-O2.C2-H2-O4

Molecular Weight

  • 348.353
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70882-58-5

System Generated Number

  • 0070882585

Molecular Formulas

Molecular Formula

  • C15-H18-N2-O2.C2-H2-O4

Molecular Formula Fragments

  • C15-H18-N2-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18N2O2.C2H2O4/c1-17(2)9-10-19-15(18)8-7-12-11-16-14-6-4-3-5-13(12)14;3-1(4)2(5)6/h3-8,11,16H,9-10H2,1-2H3;(H,3,4)(H,5,6)/b8-7+;

InChIKey

SJCVPEREYIIADK-USRGLUTNSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 317mg/kg (317mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 507, 1979.