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Substance Name: 1H-Indole, 4-(1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1)
RN: 83367-91-3
InChIKey: YEUJTSSECIZFCS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H28-N4.C2-H2-O4

Molecular Weight

  • 486.569
 
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Names and Synonyms

Synonyms

  • 4-(1,2,5,6-Tetrahydro-3-pyridinyl)-1H-indole ethanedioate (2:1)
  • 4-(1,2,5,6-Tetrahydropyridin-3-yl)-1H-indole oxalate

Systematic Name

  • 1H-Indole, 4-(1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1)

Registry Numbers

CAS Registry Number

  • 83367-91-3

System Generated Number

  • 0083367913

Molecular Formulas

Molecular Formula

  • C26-H28-N4.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C26-H28-N4
  • COMPONENT

Structure Descriptors

InChI

1S/2C13H14N2.C2H2O4/c2*1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1;3-1(4)2(5)6/h2*1,3-6,8,14-15H,2,7,9H2;(H,3,4)(H,5,6)

InChIKey

YEUJTSSECIZFCS-UHFFFAOYSA-N

Smiles

c1cc(c2cc[nH]c2c1)C3=CCCNC3.c1cc(c2cc[nH]c2c1)C3=CCCNC3.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 80mg/kg (80mg/kg)   United States Patent Document. Vol. #4332808,